data_5l3m_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5l3m _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.795 0.331 . . . . 25.0 110.211 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -128.51 127.68 42.88 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 122.792 0.437 . . . . 50.0 110.243 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.2 m -132.51 -47.01 0.89 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 115.69 1.737 . . . . 50.0 115.69 -174.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.81 -132.95 7.55 Favored Glycine 0 C--O 1.229 -0.164 0 CA-C-O 121.622 0.568 . . . . 25.0 114.03 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.33 -26.6 70.74 Favored Glycine 0 C--O 1.219 -0.811 0 C-N-CA 121.016 -0.612 . . . . 50.0 111.717 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -66.37 -26.5 67.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.795 0.295 . . . . 50.0 111.795 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.7 tp -72.36 -42.6 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.273 -1.01 . . . . 75.0 108.273 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.0 t -64.18 -39.69 86.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 50.0 109.531 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.35 -45.36 93.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 50.0 110.055 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.8 m -62.68 -40.11 96.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.805 0.336 . . . . 25.0 111.676 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.74 -38.46 91.18 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.213 -0.305 . . . . 50.0 110.439 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -67.47 -40.46 85.31 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 109.794 -0.447 . . . . 50.0 109.794 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -63.83 -50.42 68.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.911 0.708 . . . . 50.0 112.911 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.05 -30.24 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 121.109 0.481 . . . . 50.0 111.534 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -89.64 -33.98 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.215 0.82 . . . . 50.0 113.215 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.27 -136.77 30.57 Favored Glycine 0 N--CA 1.433 -1.505 0 N-CA-C 105.164 -3.174 . . . . 25.0 105.164 -169.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -79.09 2.21 21.53 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.968 -1.116 . . . . 50.0 113.355 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 -72.25 -21.1 61.43 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 121.051 -1.031 . . . . 50.0 113.116 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.95 163.46 30.15 Favored Glycine 0 C--O 1.223 -0.536 0 C-N-CA 121.193 -0.527 . . . . 50.0 112.691 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -152.09 170.5 19.79 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.577 0.688 . . . . 50.0 111.284 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.93 143.88 51.1 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.77 -16.76 43.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.552 0.691 . . . . 50.0 109.612 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 115.415 -0.812 . . . . 50.0 108.913 179.602 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.796 0 N-CA-C 117.513 1.765 . . . . 25.0 117.513 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.0 tp -57.98 -34.8 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 114.232 1.197 . . . . 50.0 114.232 -169.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -64.41 -31.0 51.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.289 0.566 . . . . 50.0 110.734 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.26 -40.23 93.66 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.01 -0.431 . . . . 50.0 111.346 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -90.92 -29.69 17.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.956 1.095 . . . . 50.0 113.956 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.3 m -102.29 -15.62 16.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 115.238 1.57 . . . . 50.0 115.238 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -115.8 -50.79 2.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.156 0.435 . . . . 50.0 111.803 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -76.97 -16.37 59.36 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.285 0.564 . . . . 50.0 109.822 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -135.5 -170.94 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 105.534 -2.024 . . . . 50.0 105.534 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.4 p -114.23 142.92 45.66 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -127.59 176.93 7.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.237 0.335 . . . . 50.0 110.282 -177.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -121.98 159.56 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.942 -1.873 . . . . 50.0 105.942 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -58.82 -31.46 68.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.118 0.414 . . . . 50.0 112.118 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.92 89.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.283 0.563 . . . . 25.0 110.708 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.55 -39.01 77.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.625 0.726 . . . . 50.0 109.213 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.48 -43.18 97.25 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.421 -0.809 . . . . 50.0 110.484 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.21 -18.12 56.65 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 113.215 0.82 . . . . 50.0 113.215 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.8 p -69.12 -16.31 63.63 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.082 -1.011 . . . . 25.0 112.14 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -90.96 -1.46 57.82 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.363 0.602 . . . . 50.0 110.849 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.75 158.7 34.14 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.365 -0.976 . . . . 50.0 108.365 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.02 -31.61 72.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.901 0.381 . . . . 25.0 111.007 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 107.867 -1.16 . . . . 25.0 107.867 176.066 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.8 mt -135.44 129.44 33.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.119 -0.946 . . . . 50.0 108.636 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -148.46 164.75 33.22 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.898 -0.321 . . . . 50.0 110.161 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.25 -144.35 45.37 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 121.035 -0.602 . . . . 25.0 112.395 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.46 -22.65 71.49 Favored Glycine 0 C--O 1.219 -0.791 0 C-N-CA 121.132 -0.556 . . . . 50.0 113.597 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.67 -37.55 86.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.645 0.723 . . . . 50.0 109.68 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.5 tp -66.8 -42.05 86.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.892 -0.41 . . . . 75.0 109.892 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.61 -43.86 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.639 -0.504 . . . . 50.0 109.639 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.98 -37.62 80.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.99 0.424 . . . . 50.0 110.628 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 m -70.67 -39.6 73.45 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.728 -0.389 . . . . 25.0 111.865 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.14 -37.75 86.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.49 0.662 . . . . 50.0 109.591 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -69.97 -33.18 71.75 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.824 -0.625 . . . . 50.0 111.281 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -74.11 -47.11 38.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.237 0.829 . . . . 50.0 113.237 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.84 -25.97 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 112.344 0.498 . . . . 50.0 112.344 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.4 m -137.18 -53.85 0.69 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.294 0.85 . . . . 50.0 113.294 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.43 -100.2 0.09 OUTLIER Glycine 0 N--CA 1.464 0.527 0 N-CA-C 115.924 1.13 . . . . 25.0 115.924 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.82 -32.22 63.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.954 0.902 . . . . 50.0 112.048 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -72.56 -5.39 36.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 50.0 112.128 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.58 158.65 10.35 Favored Glycine 0 C--O 1.229 -0.192 0 CA-C-N 116.669 -0.241 . . . . 50.0 113.113 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -161.43 162.77 30.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.022 0.411 . . . . 50.0 111.165 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -130.61 151.77 50.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.33 -18.32 28.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.714 0.769 . . . . 50.0 111.017 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 107.814 -1.18 . . . . 50.0 107.814 -178.023 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 110.39 -1.084 . . . . 25.0 110.39 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 tp -55.16 -35.44 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.644 0.609 . . . . 50.0 112.644 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.32 -39.45 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 O-C-N 121.482 -0.761 . . . . 50.0 111.183 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -66.94 -32.07 73.08 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.864 -0.522 . . . . 50.0 110.848 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -81.91 -40.32 22.52 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.25 -18.19 14.99 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 116.854 2.168 . . . . 50.0 116.854 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.6 t -109.64 -45.52 3.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.663 0.665 . . . . 50.0 111.398 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -76.09 -20.74 57.41 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.863 0.364 . . . . 50.0 110.337 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -145.21 178.41 8.09 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 106.007 -1.849 . . . . 50.0 106.007 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.5 p -88.24 152.94 21.61 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 123.483 0.49 . . . . 25.0 110.699 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.7 p -143.8 163.63 32.81 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.828 0.347 . . . . 50.0 111.595 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -109.18 157.86 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.586 -0.733 . . . . 50.0 109.296 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.52 -28.48 67.11 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.098 0.407 . . . . 50.0 112.098 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.49 78.16 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.215 0.531 . . . . 25.0 110.083 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.07 -40.93 91.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.9 0.857 . . . . 50.0 109.076 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.73 -43.37 90.17 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.961 -1.018 . . . . 50.0 110.897 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.59 -27.0 62.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.64 0.608 . . . . 50.0 112.64 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.9 p -67.77 -16.19 64.0 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.402 -0.811 . . . . 25.0 113.027 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -88.33 1.6 54.28 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.803 0.335 . . . . 50.0 111.686 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -73.38 161.79 30.05 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.142 -0.688 . . . . 50.0 109.142 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.3 -27.57 62.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.84 0.352 . . . . 25.0 110.958 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.5 p . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.474 -0.33 . . . . 25.0 111.589 179.509 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.22 113.37 26.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.297 0.57 . . . . 50.0 111.827 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 -56.78 1.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.926 1.454 . . . . 50.0 114.926 -174.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.85 -137.39 8.11 Favored Glycine 0 C--O 1.221 -0.689 0 CA-C-N 116.281 -0.418 . . . . 25.0 113.837 -174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.29 -22.31 58.29 Favored Glycine 0 C--O 1.224 -0.5 0 C-N-CA 121.251 -0.5 . . . . 50.0 113.183 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -60.86 -37.67 82.91 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 121.015 0.436 . . . . 50.0 110.547 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.2 tp -67.54 -41.19 84.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.138 0.494 . . . . 50.0 109.974 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.88 -39.28 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.97 -0.752 . . . . 50.0 108.97 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.66 -41.7 97.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.379 -0.2 . . . . 50.0 110.742 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.5 m -66.33 -42.01 88.8 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 122.077 -0.39 . . . . 25.0 111.884 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.79 -38.65 86.05 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.72 -0.612 . . . . 50.0 109.809 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.54 -32.99 73.32 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 116.331 -0.395 . . . . 50.0 111.475 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -72.19 -42.72 65.52 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.713 -0.617 . . . . 50.0 111.473 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.7 -38.48 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 N-CA-C 112.345 0.498 . . . . 75.0 112.345 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.1 m -124.75 -8.38 7.31 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 116.698 2.11 . . . . 50.0 116.698 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.19 168.88 41.92 Favored Glycine 0 C--N 1.32 -0.342 0 CA-C-O 121.985 0.769 . . . . 25.0 111.448 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -79.4 15.12 1.33 Allowed 'General case' 0 N--CA 1.472 0.64 0 O-C-N 122.114 -0.639 . . . . 50.0 111.692 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -69.57 -18.65 63.66 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.059 0.762 . . . . 50.0 113.059 -174.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.14 149.28 5.48 Favored Glycine 0 CA--C 1.51 -0.256 0 C-N-CA 121.449 -0.405 . . . . 50.0 112.703 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -160.7 159.54 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.638 -1.616 . . . . 50.0 106.638 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -117.0 142.48 46.9 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.342 -0.614 . . . . 50.0 109.342 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -93.65 2.42 56.33 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.529 0.681 . . . . 50.0 112.01 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 p . . . . . 0 C--N 1.323 -0.579 0 N-CA-C 104.149 -2.538 . . . . 50.0 104.149 176.361 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 120.349 -0.139 . . . . 25.0 113.141 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -58.07 -36.93 58.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 116.927 0.363 . . . . 50.0 110.925 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.07 -35.28 67.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 O-C-N 121.456 -0.777 . . . . 50.0 110.146 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.15 -39.72 86.57 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.462 -0.774 . . . . 50.0 110.53 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -84.65 -26.65 27.68 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.211 0.819 . . . . 50.0 113.211 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.1 m -103.63 -12.48 17.02 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 116.247 1.943 . . . . 50.0 116.247 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.2 t -118.01 -46.05 2.64 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.46 0.541 . . . . 50.0 112.46 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -83.4 -11.46 57.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.82 -0.807 . . . . 50.0 108.82 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -138.69 171.16 14.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 103.733 -2.691 . . . . 50.0 103.733 171.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.5 p -93.72 149.9 20.85 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.676 -1.601 . . . . 25.0 106.676 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.6 p -137.74 166.47 23.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.054 0.454 . . . . 50.0 110.392 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -112.06 167.41 10.42 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.31 -0.996 . . . . 50.0 108.31 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.57 -26.56 68.03 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 113.062 0.764 . . . . 50.0 113.062 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.42 -45.61 53.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.421 0.555 . . . . 25.0 110.14 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.37 -46.06 91.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.908 0.861 . . . . 50.0 108.991 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -57.11 -44.25 83.07 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.99 -1.004 . . . . 50.0 111.807 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -55.68 -28.14 54.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.062 -0.517 . . . . 50.0 112.166 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.4 p -65.3 -16.3 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.95 -3.85 56.96 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.026 0.38 . . . . 50.0 112.026 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.3 m -73.18 146.98 45.18 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.714 -0.476 . . . . 50.0 109.714 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.92 -25.08 61.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 -173.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.323 -0.584 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 176.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 107.186 -1.413 . . . . 25.0 107.186 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.3 mt -129.62 119.6 23.85 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.905 0.882 . . . . 50.0 108.675 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.2 m -112.98 -164.89 0.95 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.832 -0.622 . . . . 50.0 111.205 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.46 138.17 23.96 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 121.047 -0.597 . . . . 25.0 114.18 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.27 -69.2 3.04 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-O 119.919 -0.379 . . . . 50.0 112.659 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -64.81 -33.62 76.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.687 0.743 . . . . 50.0 111.715 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.3 tp -65.86 -39.42 90.7 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 109.423 -0.584 . . . . 50.0 109.423 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.6 -41.04 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.72 -0.844 . . . . 50.0 108.72 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -63.91 -38.96 93.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.25 0.548 . . . . 50.0 110.052 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -64.69 -43.11 94.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.345 -0.389 . . . . 25.0 110.956 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.68 -37.32 83.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.898 -0.501 . . . . 50.0 110.256 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.77 -39.51 84.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 50.0 110.618 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.11 -44.3 80.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.236 0.458 . . . . 50.0 112.236 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -73.18 -42.78 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 122.048 -0.407 . . . . 50.0 111.839 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -150.3 29.91 0.7 Allowed 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 115.551 1.686 . . . . 50.0 115.551 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.43 -27.92 66.52 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 120.861 -0.685 . . . . 25.0 112.935 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.24 -37.91 73.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.516 0.674 . . . . 50.0 111.719 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.86 -21.63 17.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.526 -0.761 . . . . 50.0 112.81 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.77 166.0 40.63 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 109.79 -1.324 . . . . 50.0 109.79 -174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -152.74 166.19 32.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.284 -0.539 . . . . 50.0 111.46 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -118.94 160.84 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.685 -1.598 . . . . 50.0 106.685 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.6 5.62 51.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 50.0 110.813 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.216 -0.69 0 N-CA-C 104.29 -2.485 . . . . 50.0 104.29 176.404 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 111.567 -0.613 . . . . 25.0 111.567 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 tp -55.38 -35.14 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.694 0.798 . . . . 50.0 110.24 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.7 p -61.44 -32.09 52.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.227 0.454 . . . . 50.0 112.227 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -72.94 -38.19 66.88 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.522 -1.271 . . . . 50.0 110.237 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -28.46 54.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.005 0.372 . . . . 50.0 112.005 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.4 m -102.17 -27.84 12.66 Favored 'General case' 0 C--O 1.208 -1.092 0 N-CA-C 116.262 1.949 . . . . 50.0 116.262 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.7 t -106.77 -39.03 5.92 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.512 1.051 . . . . 50.0 111.659 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -89.16 -9.07 52.3 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.873 0.844 . . . . 50.0 110.053 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -139.51 -165.32 1.84 Allowed 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 102.764 -3.051 . . . . 50.0 102.764 171.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 p -120.71 153.76 36.52 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.8 p -143.1 165.81 26.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.258 0.551 . . . . 50.0 112.332 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -117.01 162.77 17.26 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.321 -0.992 . . . . 50.0 108.321 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.11 -30.44 68.11 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 111.92 0.341 . . . . 50.0 111.92 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.69 93.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.4 0.619 . . . . 25.0 110.808 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.97 -42.2 70.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.085 -0.709 . . . . 50.0 109.085 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.7 -43.59 90.07 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.565 -0.743 . . . . 50.0 111.728 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -55.57 -26.29 42.74 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.605 0.717 . . . . 50.0 112.005 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 p -68.77 -16.14 63.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.88 1.067 . . . . 25.0 113.88 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -91.99 -1.04 57.46 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.99 0.516 . . . . 50.0 111.148 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.1 m -74.83 167.7 21.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.941 -0.475 . . . . 50.0 110.654 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -13.94 62.16 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.137 0.494 . . . . 25.0 111.03 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.323 -0.579 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 178.268 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.213 0.53 . . . . 25.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.2 mt -109.39 119.61 39.99 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.065 -0.516 . . . . 50.0 112.045 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.35 164.22 30.83 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.162 -0.681 . . . . 50.0 109.162 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.63 -145.44 47.47 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.955 -0.641 . . . . 25.0 113.115 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.66 -22.05 71.41 Favored Glycine 0 C--O 1.22 -0.73 0 C-N-CA 121.162 -0.542 . . . . 50.0 113.856 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.58 -36.63 83.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.952 0.876 . . . . 50.0 109.973 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.93 -42.06 90.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.454 -0.573 . . . . 50.0 109.454 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.39 -44.16 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.648 -0.501 . . . . 50.0 109.648 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.18 -37.83 78.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.168 0.509 . . . . 50.0 110.781 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.5 m -68.62 -42.36 78.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.987 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.7 -38.84 89.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.912 -0.492 . . . . 50.0 110.531 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -67.3 -35.1 78.76 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.796 -0.638 . . . . 50.0 110.733 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -73.97 -47.99 33.51 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.129 0.789 . . . . 50.0 113.129 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.0 -41.61 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.448 0.536 . . . . 50.0 112.448 -173.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 t -105.44 -26.62 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.954 1.094 . . . . 50.0 113.954 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.85 -173.6 35.11 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 109.096 -1.601 . . . . 25.0 109.096 -174.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.71 15.09 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 116.317 1.969 . . . . 50.0 116.317 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -13.48 62.28 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.118 -0.988 . . . . 50.0 112.388 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.69 159.67 34.57 Favored Glycine 0 C--O 1.225 -0.437 0 N-CA-C 110.247 -1.141 . . . . 50.0 110.247 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -156.98 164.15 38.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.962 -0.755 . . . . 50.0 108.962 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.46 147.33 49.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.872 -0.788 . . . . 50.0 108.872 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -82.27 -12.85 57.79 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.922 -0.487 . . . . 50.0 111.708 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.212 -0.874 0 N-CA-C 105.824 -1.917 . . . . 50.0 105.824 174.218 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 107.167 -2.373 . . . . 25.0 107.167 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -54.84 -34.05 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 112.86 0.689 . . . . 50.0 112.86 -175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -70.05 -42.29 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 O-C-N 120.987 -1.07 . . . . 50.0 110.058 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.43 -34.11 77.22 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.362 -0.836 . . . . 50.0 110.525 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.38 -37.83 51.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 114.1 1.148 . . . . 50.0 114.1 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.9 m -108.51 -11.36 15.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 116.585 2.068 . . . . 50.0 116.585 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 t -113.78 -48.2 2.93 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.028 0.376 . . . . 50.0 111.268 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -77.61 -13.36 59.93 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.346 0.593 . . . . 50.0 109.871 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -144.84 173.75 11.59 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 104.851 -2.278 . . . . 50.0 104.851 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.8 t -93.05 153.41 18.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 106.946 -1.501 . . . . 25.0 106.946 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.2 p -141.68 166.65 24.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.384 -0.599 . . . . 50.0 109.384 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -111.01 162.09 15.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.057 -1.09 . . . . 50.0 108.057 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.31 -27.81 68.76 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 112.568 0.581 . . . . 50.0 112.568 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.94 60.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.238 0.542 . . . . 25.0 109.797 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.99 -42.16 98.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.47 0.652 . . . . 50.0 109.78 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.56 -44.45 96.13 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.716 -0.675 . . . . 50.0 111.461 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -58.65 -24.36 61.02 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.767 0.655 . . . . 50.0 112.767 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 p -64.0 -16.19 61.05 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -90.67 0.59 57.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.825 0.345 . . . . 50.0 110.759 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.5 t -74.68 150.78 39.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.026 -0.731 . . . . 50.0 109.026 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.78 69.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.511 0.56 . . . . 25.0 112.511 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 178.721 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 p . . . . . 0 CA--C 1.516 -0.337 0 N-CA-C 106.644 -1.613 . . . . 25.0 106.644 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.1 tp -127.21 111.74 14.31 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.628 -0.878 . . . . 50.0 108.628 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.76 147.17 32.62 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 114.406 1.261 . . . . 50.0 114.406 -172.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 -140.86 21.31 Favored Glycine 0 C--O 1.226 -0.394 0 C-N-CA 120.258 -0.972 . . . . 25.0 112.138 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.62 -32.97 85.97 Favored Glycine 0 C--O 1.221 -0.699 0 C-N-CA 120.95 -0.643 . . . . 50.0 114.653 -175.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -66.84 -30.13 70.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.616 0.708 . . . . 50.0 110.798 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -68.28 -41.1 81.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.646 -0.872 . . . . 50.0 108.646 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.44 -40.61 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.98 -0.378 . . . . 50.0 109.98 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.55 -43.05 99.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.652 -0.499 . . . . 50.0 109.652 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 m -63.81 -39.91 95.36 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.33 -39.26 92.47 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.829 -0.434 . . . . 50.0 109.829 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -68.45 -38.64 81.32 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.542 -0.299 . . . . 50.0 110.251 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -68.3 -48.95 63.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.059 0.763 . . . . 50.0 113.059 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.89 -29.26 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.881 0.697 . . . . 50.0 112.881 -172.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.9 m -118.71 -14.93 9.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.454 1.65 . . . . 50.0 115.454 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 24' ' ' ARG . . . 89.17 174.42 46.44 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 107.843 -2.103 . . . . 25.0 107.843 -172.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -70.69 15.22 0.1 Allowed 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 122.316 1.055 . . . . 50.0 112.61 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 22' ' ' GLY . 23.5 mmm180 -71.61 -1.99 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.157 -0.965 . . . . 50.0 112.029 -174.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.16 146.18 12.81 Favored Glycine 0 N--CA 1.453 -0.181 0 CA-C-O 121.468 0.482 . . . . 50.0 113.56 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.68 166.81 32.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.84 -1.17 . . . . 50.0 107.84 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -130.18 157.74 41.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.23 5.25 52.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.262 0.553 . . . . 50.0 110.063 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 108.053 -1.091 . . . . 50.0 108.053 -178.39 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.988 0 CA-C-O 119.915 -0.38 . . . . 25.0 113.088 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 tp -49.89 -36.07 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.881 0.848 . . . . 50.0 112.935 -175.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.92 -26.29 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.883 -0.599 . . . . 50.0 111.799 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.04 -34.82 78.53 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 121.467 -0.771 . . . . 50.0 110.388 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -91.66 -38.59 12.34 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 111.913 0.338 . . . . 50.0 111.913 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.9 m -98.34 -14.75 20.03 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 117.038 2.236 . . . . 50.0 117.038 -172.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.6 t -119.12 -45.51 2.55 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.295 0.498 . . . . 50.0 112.191 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -77.55 -17.69 57.65 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.908 -0.775 . . . . 50.0 108.908 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -140.04 -174.77 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.228 -2.508 . . . . 50.0 104.228 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.4 p -108.6 153.47 23.35 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 171.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p -138.19 164.09 30.07 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.666 0.617 . . . . 50.0 112.666 -174.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.72 152.65 21.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.707 -0.849 . . . . 50.0 108.707 176.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -64.04 -27.49 69.15 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.436 0.636 . . . . 50.0 109.68 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.28 82.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.413 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.89 -44.64 80.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.776 -0.824 . . . . 50.0 108.776 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.43 -43.15 79.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.906 -1.043 . . . . 50.0 110.977 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.67 -26.37 44.34 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.107 0.78 . . . . 50.0 113.107 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -65.52 -16.38 63.62 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.87 1.063 . . . . 25.0 113.87 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -85.42 -2.11 57.76 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.548 0.573 . . . . 50.0 112.548 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.0 m -75.83 161.37 29.06 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.966 -0.459 . . . . 50.0 112.108 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.28 -26.4 58.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.722 -0.672 . . . . 25.0 110.294 178.245 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.6 p . . . . . 0 C--O 1.234 0.266 0 N-CA-C 109.665 -0.495 . . . . 25.0 109.665 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -124.96 121.55 34.76 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.702 -1.221 . . . . 50.0 107.702 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.87 -34.33 1.01 Allowed 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.401 1.63 . . . . 50.0 115.401 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.22 -146.73 12.41 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 121.234 -0.507 . . . . 25.0 112.849 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.77 -18.36 63.97 Favored Glycine 0 C--O 1.218 -0.892 0 CA-C-O 122.068 0.816 . . . . 50.0 111.245 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -58.53 -29.92 66.68 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.098 0.959 . . . . 50.0 112.03 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -73.22 -41.08 64.17 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.402 -0.962 . . . . 50.0 108.402 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.29 -39.59 85.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.521 -0.918 . . . . 50.0 108.521 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -62.13 -45.0 95.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 50.0 110.32 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -61.75 -41.4 97.63 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.104 -0.373 . . . . 25.0 111.949 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.75 -37.86 88.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.123 -0.361 . . . . 50.0 110.899 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -67.96 -41.35 82.55 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.715 -0.476 . . . . 50.0 109.715 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -65.77 -47.32 75.58 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.98 -28.88 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 -174.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.1 m -120.78 -18.93 7.52 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 117.411 2.374 . . . . 50.0 117.411 -175.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.01 -134.1 52.49 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-O 123.487 1.604 . . . . 25.0 112.826 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.99 -16.37 29.94 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 111.925 -2.137 . . . . 50.0 114.257 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -63.86 -23.85 67.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.486 0.55 . . . . 50.0 112.486 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.34 169.29 31.95 Favored Glycine 0 C--O 1.229 -0.183 0 N-CA-C 111.823 -0.511 . . . . 50.0 111.823 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 44.0 p90 -157.21 167.88 29.05 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.175 -0.603 . . . . 50.0 112.45 -177.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -129.64 158.18 40.04 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.332 -0.988 . . . . 50.0 108.332 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -88.86 -15.61 34.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.253 -0.647 . . . . 50.0 109.253 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 p . . . . . 0 C--O 1.217 -0.64 0 N-CA-C 108.476 -0.935 . . . . 50.0 108.476 178.425 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.815 0 N-CA-C 110.882 -0.887 . . . . 25.0 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.3 tp -46.45 -37.87 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.572 1.323 . . . . 50.0 114.572 -176.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 m -65.81 -26.26 38.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 CA-C-N 116.256 -0.429 . . . . 50.0 112.04 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -67.78 -35.63 79.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.166 -0.959 . . . . 50.0 110.899 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -92.53 -29.57 16.13 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 120.222 -0.591 . . . . 50.0 112.188 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.2 m -101.6 -14.13 17.56 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 116.42 2.008 . . . . 50.0 116.42 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.4 t -117.66 -52.72 2.44 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.584 0.629 . . . . 50.0 111.693 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -72.71 -23.07 60.81 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.033 -0.729 . . . . 50.0 109.033 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HG2' ' H ' ' A' ' 52' ' ' SER . 29.2 ttt-85 -130.86 -175.77 3.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 105.274 -2.121 . . . . 50.0 105.274 172.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.447 ' H ' ' HG2' ' A' ' 51' ' ' ARG . 63.9 p -107.9 153.13 23.48 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 105.373 -2.084 . . . . 25.0 105.373 170.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -134.82 159.33 41.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.213 0.53 . . . . 50.0 112.073 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.75 152.56 21.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.546 -1.65 . . . . 50.0 106.546 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.86 -27.66 68.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.991 0.424 . . . . 50.0 110.81 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.09 90.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.337 0.589 . . . . 25.0 111.001 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.31 -43.73 73.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.346 -0.983 . . . . 50.0 108.346 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.31 -42.52 81.97 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.667 -1.151 . . . . 50.0 111.024 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -55.3 -25.64 35.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.242 0.83 . . . . 50.0 113.242 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.7 p -67.14 -21.05 65.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.342 -0.849 . . . . 25.0 112.943 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -81.06 -7.51 59.57 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.191 0.52 . . . . 50.0 111.849 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 72.9 m -70.2 153.11 43.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.477 0.656 . . . . 50.0 111.279 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.32 -29.47 69.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.415 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.8 p . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 172.577 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -135.54 130.93 35.35 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.38 -0.97 . . . . 50.0 108.38 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 -178.02 3.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.831 0.348 . . . . 50.0 111.271 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.85 92.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 118.66 2.224 . . . . 25.0 118.66 -171.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.26 -64.34 0.5 Allowed Glycine 0 C--O 1.222 -0.613 0 N-CA-C 109.14 -1.584 . . . . 50.0 109.14 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -67.18 -30.3 70.22 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 122.044 -0.68 . . . . 50.0 109.782 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.06 -35.33 80.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.104 -0.498 . . . . 50.0 111.372 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.97 -40.91 87.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.093 -0.706 . . . . 50.0 109.093 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.21 -43.49 98.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.056 -0.35 . . . . 50.0 110.056 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -63.22 -40.6 97.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.93 -39.97 95.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.356 . . . . 50.0 111.285 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -66.14 -41.91 89.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.728 -0.471 . . . . 50.0 109.728 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -68.41 -45.33 72.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.879 1.066 . . . . 50.0 113.879 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.59 -23.96 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 113.605 0.965 . . . . 50.0 113.605 -172.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.9 t -119.94 -43.78 2.54 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 115.581 1.697 . . . . 50.0 115.581 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.79 -156.9 15.72 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-O 122.962 1.312 . . . . 25.0 112.675 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -79.26 -2.59 41.95 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.544 -1.328 . . . . 50.0 113.704 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -70.12 -4.61 22.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 114.835 1.42 . . . . 50.0 114.835 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.93 157.8 28.18 Favored Glycine 0 C--O 1.22 -0.744 0 N-CA-C 111.739 -0.544 . . . . 50.0 111.739 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -154.27 168.07 27.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.618 -0.882 . . . . 50.0 108.618 -176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -119.76 155.9 31.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.033 -0.728 . . . . 50.0 109.033 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.1 7.08 47.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.934 0.873 . . . . 50.0 109.534 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 106.97 -1.493 . . . . 50.0 106.97 -177.078 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.471 0 CA-C-O 119.907 -0.385 . . . . 25.0 112.4 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 tp -55.11 -36.29 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 121.118 0.485 . . . . 50.0 111.399 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -70.39 -26.1 28.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 O-C-N 121.635 -0.666 . . . . 50.0 112.081 -176.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -72.16 -34.02 68.17 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.156 -0.965 . . . . 50.0 109.164 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -89.23 -32.09 17.58 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.859 -0.609 . . . . 50.0 112.267 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.6 m -108.78 -11.69 15.01 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 117.56 2.43 . . . . 50.0 117.56 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -114.35 -52.78 2.7 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.174 0.897 . . . . 50.0 110.674 176.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -72.76 -27.01 61.76 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -123.1 172.07 8.83 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 105.296 -2.112 . . . . 50.0 105.296 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 p -96.55 146.43 24.82 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 105.508 -2.034 . . . . 25.0 105.508 168.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -128.91 162.69 26.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 118.062 0.392 . . . . 50.0 110.776 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -89.88 152.0 21.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.371 -1.714 . . . . 50.0 106.371 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.53 -28.39 69.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.072 0.463 . . . . 50.0 109.948 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.78 -46.08 86.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.986 -0.552 . . . . 25.0 109.989 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.87 -43.23 84.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.66 0.743 . . . . 50.0 109.828 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.48 -44.15 84.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.33 -0.85 . . . . 50.0 111.607 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.97 -30.56 59.33 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 112.894 0.702 . . . . 50.0 112.894 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.4 p -63.67 -19.1 64.63 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.958 1.096 . . . . 25.0 113.958 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -76.07 -5.98 48.99 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.367 0.506 . . . . 50.0 112.367 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 t -67.88 147.94 51.83 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.28 77.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.225 0.536 . . . . 25.0 111.623 -175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 104.785 -2.302 . . . . 25.0 104.785 174.638 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.5 mt -122.36 125.96 47.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.112 -0.494 . . . . 50.0 110.006 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.64 165.9 26.13 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.669 -0.493 . . . . 50.0 109.669 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.16 -144.78 44.86 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.063 -0.589 . . . . 25.0 113.198 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.88 71.75 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 121.097 -0.573 . . . . 50.0 113.354 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -64.55 -38.35 90.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.705 0.753 . . . . 50.0 109.905 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 tp -66.2 -43.18 87.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.821 -0.627 . . . . 50.0 109.428 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.02 -42.92 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.249 -0.278 . . . . 50.0 110.249 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -60.56 -35.68 76.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.765 0.317 . . . . 50.0 110.235 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.2 m -72.98 -39.6 65.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.599 -0.44 . . . . 25.0 111.118 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.71 -38.17 89.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.041 0.448 . . . . 50.0 109.968 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -67.77 -39.1 84.15 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.417 -0.356 . . . . 50.0 110.246 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -65.49 -47.33 76.41 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.531 0.567 . . . . 50.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.02 -25.98 26.69 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 112.054 0.39 . . . . 75.0 112.054 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 88.3 m -103.8 -22.91 13.46 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 116.529 2.048 . . . . 50.0 116.529 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.46 -139.3 47.17 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-O 123.711 1.728 . . . . 25.0 111.341 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.89 -7.95 25.61 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 112.193 -2.004 . . . . 50.0 115.436 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -94.05 -9.55 36.38 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.186 1.55 . . . . 50.0 115.186 -174.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.51 178.24 51.88 Favored Glycine 0 C--N 1.322 -0.246 0 CA-C-O 122.305 0.947 . . . . 50.0 114.883 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -152.63 168.89 24.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.915 -0.643 . . . . 50.0 110.038 -174.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -127.12 133.6 50.36 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.979 -0.749 . . . . 50.0 108.979 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.95 -15.12 63.47 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.803 -0.561 . . . . 50.0 111.926 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.467 0.405 0 N-CA-C 113.121 0.785 . . . . 50.0 113.121 -178.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.349 0 N-CA-C 109.91 -1.276 . . . . 25.0 109.91 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 tp -58.11 -37.39 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.387 0.514 . . . . 50.0 112.387 -174.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.5 -35.29 74.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.747 -0.596 . . . . 50.0 111.02 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -73.04 -33.89 65.98 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 118.754 -1.179 . . . . 50.0 110.974 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.95 -28.46 22.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.347 0.869 . . . . 50.0 113.347 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 87.7 m -107.15 -14.7 14.85 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 116.504 2.039 . . . . 50.0 116.504 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.4 t -112.57 -50.69 2.88 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.05 0.841 . . . . 50.0 111.402 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -74.08 -15.46 61.06 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.081 0.467 . . . . 50.0 110.51 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -142.44 166.09 25.61 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 104.111 -2.552 . . . . 50.0 104.111 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 p -84.33 152.93 23.8 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.4 p -137.67 -178.81 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.834 -0.432 . . . . 50.0 109.834 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -128.75 160.33 32.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.841 -1.17 . . . . 50.0 107.841 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.17 -30.9 62.87 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.053 0.39 . . . . 50.0 112.053 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.58 91.34 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.248 0.547 . . . . 25.0 111.253 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.36 -40.82 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 50.0 109.208 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.58 -42.3 96.39 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.297 -0.865 . . . . 50.0 110.858 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -58.13 -22.14 49.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.145 0.795 . . . . 50.0 113.145 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.3 p -68.21 -16.38 63.95 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.239 -0.913 . . . . 25.0 112.512 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -87.54 -6.39 58.36 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.696 0.398 . . . . 50.0 111.748 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.1 154.14 38.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.402 -0.363 . . . . 50.0 111.201 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.99 -36.62 78.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.37 . . . . 25.0 111.031 -177.072 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 CA--C 1.517 -0.326 0 N-CA-C 109.089 -0.708 . . . . 25.0 109.089 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -129.32 125.03 35.82 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.696 -0.853 . . . . 50.0 108.696 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -127.31 -168.98 1.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.634 -0.506 . . . . 50.0 109.634 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.81 134.52 1.98 Allowed Glycine 0 CA--C 1.521 0.427 0 N-CA-C 115.747 1.059 . . . . 25.0 115.747 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.48 -69.09 3.43 Favored Glycine 0 C--O 1.226 -0.39 0 O-C-N 122.645 -0.327 . . . . 50.0 112.451 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -62.73 -39.56 94.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.365 0.603 . . . . 50.0 111.863 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.4 tp -63.73 -41.6 98.02 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.034 -0.53 . . . . 50.0 109.809 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.0 -42.82 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.155 -0.683 . . . . 50.0 109.155 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.36 -34.57 75.53 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 120.963 0.411 . . . . 50.0 110.449 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 m -73.75 -40.16 63.69 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.034 -0.416 . . . . 25.0 111.506 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.65 -39.43 93.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.999 -0.741 . . . . 50.0 108.999 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -66.89 -36.48 82.37 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.593 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -67.94 -50.23 57.13 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.364 0.505 . . . . 50.0 112.364 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.9 -27.87 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 122.114 -0.366 . . . . 50.0 111.952 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.7 m -97.48 -22.43 16.57 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.908 1.077 . . . . 50.0 113.908 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.77 -136.15 41.27 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 108.68 -1.768 . . . . 25.0 108.68 -172.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.79 7.66 4.49 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 112.66 -1.77 . . . . 50.0 113.784 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -93.89 -13.59 27.0 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.34 1.978 . . . . 50.0 116.34 -174.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.67 173.46 45.09 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.449 -0.881 . . . . 50.0 113.832 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -160.34 171.89 18.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.058 -0.719 . . . . 50.0 109.058 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -125.64 152.27 45.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.925 -0.768 . . . . 50.0 108.925 177.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.38 -12.1 41.34 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.117 0.484 . . . . 50.0 110.783 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 p . . . . . 0 CA--C 1.513 -0.476 0 N-CA-C 109.278 -0.638 . . . . 50.0 109.278 178.896 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.281 0 N-CA-C 112.772 -0.131 . . . . 25.0 112.772 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.7 tp -59.75 -37.7 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 122.343 -0.504 . . . . 50.0 111.032 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.98 -33.61 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 121.842 -0.536 . . . . 50.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -73.04 -33.89 65.97 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.633 0.73 . . . . 50.0 109.463 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.63 -38.64 39.23 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.47 -0.786 . . . . 50.0 112.949 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.7 m -104.88 -19.72 13.79 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 117.313 2.338 . . . . 50.0 117.313 -172.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.3 t -104.89 -50.03 3.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.642 1.11 . . . . 50.0 110.991 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -73.94 -21.91 59.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.088 0.47 . . . . 50.0 110.434 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -138.7 171.8 13.81 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 105.865 -1.902 . . . . 50.0 105.865 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -88.52 155.07 19.86 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.2 p -143.92 161.82 37.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.278 0.473 . . . . 50.0 112.278 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -101.59 156.7 17.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.799 -0.815 . . . . 50.0 108.799 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.63 -30.41 68.69 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.638 0.256 . . . . 50.0 111.355 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -46.65 76.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.298 0.571 . . . . 25.0 110.133 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.35 -40.18 89.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.093 -0.706 . . . . 50.0 109.093 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.14 -43.74 95.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.836 -0.62 . . . . 50.0 110.291 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.06 -21.17 58.73 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 113.027 0.751 . . . . 50.0 113.027 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 p -67.56 -16.22 64.07 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.251 -0.906 . . . . 25.0 112.621 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -92.13 1.82 56.97 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.864 0.364 . . . . 50.0 111.414 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -74.37 157.11 36.27 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.985 -0.376 . . . . 50.0 109.985 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.89 73.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.716 0.293 . . . . 25.0 111.709 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.327 -0.379 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.9 p . . . . . 0 C--O 1.232 0.16 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -128.76 128.2 43.52 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.556 -0.905 . . . . 50.0 108.556 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.98 164.85 31.63 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.852 -0.425 . . . . 50.0 109.852 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.35 -144.78 48.78 Favored Glycine 0 CA--C 1.516 0.117 0 C-N-CA 120.621 -0.799 . . . . 25.0 112.319 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.12 -23.58 73.06 Favored Glycine 0 C--O 1.217 -0.91 0 C-N-CA 121.112 -0.566 . . . . 50.0 113.739 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -65.77 -33.94 77.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.968 0.884 . . . . 50.0 110.422 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.1 tp -67.73 -41.42 83.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.076 -0.712 . . . . 50.0 109.076 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.01 -42.08 94.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 109.415 -0.587 . . . . 50.0 109.415 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -58.57 -43.23 89.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.291 0.567 . . . . 50.0 110.278 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -65.92 -40.34 91.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.978 -0.451 . . . . 25.0 111.878 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.12 -38.81 92.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.128 0.49 . . . . 50.0 109.745 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -68.82 -37.53 79.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.191 -0.459 . . . . 50.0 110.669 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -66.55 -49.12 67.5 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.129 0.418 . . . . 50.0 112.129 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.56 -34.46 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 112.424 0.527 . . . . 50.0 112.424 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -158.9 29.95 0.22 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 115.555 1.687 . . . . 50.0 115.555 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.59 -33.49 77.3 Favored Glycine 0 C--O 1.224 -0.483 0 C-N-CA 120.732 -0.747 . . . . 25.0 113.805 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.18 -35.67 73.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.439 0.638 . . . . 50.0 111.593 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -93.99 -9.6 36.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.894 -0.594 . . . . 50.0 111.744 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.42 160.35 27.49 Favored Glycine 0 C--N 1.321 -0.264 0 N-CA-C 111.705 -0.558 . . . . 50.0 111.705 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -152.24 163.25 39.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.203 -0.587 . . . . 50.0 110.046 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -131.5 132.22 44.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.238 0.542 . . . . 50.0 109.694 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -15.36 62.93 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.545 0.572 . . . . 50.0 112.545 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 C--N 1.327 -0.402 0 N-CA-C 112.411 0.523 . . . . 50.0 112.411 -179.779 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 N-CA-C 109.431 -1.468 . . . . 25.0 109.431 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.13 -32.33 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.501 0.72 . . . . 50.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.0 t -62.88 -33.48 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.273 -0.421 . . . . 50.0 111.54 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -36.74 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.66 -0.65 . . . . 50.0 111.72 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.52 -26.92 16.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.01 0.745 . . . . 50.0 113.01 -175.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.0 m -103.13 -16.5 15.73 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 115.645 1.72 . . . . 50.0 115.645 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.3 t -116.36 -49.19 2.68 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.957 0.799 . . . . 50.0 111.799 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -77.76 -12.72 60.0 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.508 0.671 . . . . 50.0 110.021 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -140.12 -175.3 4.19 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 104.536 -2.394 . . . . 50.0 104.536 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.3 p -109.05 147.01 33.04 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.51 165.1 26.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 50.0 110.444 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -111.8 162.88 14.79 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.715 -1.587 . . . . 50.0 106.715 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.5 -27.33 67.52 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 113.237 0.829 . . . . 50.0 113.237 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.84 61.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.306 0.574 . . . . 25.0 110.289 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.98 -38.69 91.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.708 0.765 . . . . 50.0 109.127 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.14 -43.67 98.33 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.299 -0.864 . . . . 50.0 110.471 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -57.69 -23.82 53.57 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.366 0.603 . . . . 50.0 112.43 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.1 p -67.91 -16.43 64.07 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.052 -1.03 . . . . 25.0 113.148 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -85.73 -5.96 59.19 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.692 0.282 . . . . 50.0 111.513 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.87 161.72 30.51 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.679 -0.489 . . . . 50.0 109.679 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.57 75.88 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.477 0.656 . . . . 25.0 110.52 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 176.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 CA--C 1.516 -0.358 0 N-CA-C 107.52 -1.289 . . . . 25.0 107.52 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -137.99 123.52 19.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.189 -0.671 . . . . 50.0 109.189 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.36 113.39 8.31 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.871 0.693 . . . . 50.0 112.871 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.37 -142.66 16.32 Favored Glycine 0 C--O 1.227 -0.32 0 C-N-CA 121.136 -0.554 . . . . 25.0 112.611 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.78 -27.48 72.75 Favored Glycine 0 C--O 1.219 -0.819 0 C-N-CA 120.963 -0.637 . . . . 50.0 112.498 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.33 -29.49 70.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.22 0.533 . . . . 50.0 111.156 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 tp -70.29 -40.43 74.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.644 -0.873 . . . . 50.0 108.644 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.99 -41.34 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.561 -0.533 . . . . 50.0 109.561 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.79 -48.66 80.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.183 0.516 . . . . 50.0 109.836 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -59.62 -41.69 90.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.262 -0.427 . . . . 25.0 111.665 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.77 -40.62 97.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.396 0.141 . . . . 50.0 111.06 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -66.54 -40.89 89.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.65 -0.5 . . . . 50.0 109.65 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.81 -52.69 48.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.262 0.838 . . . . 50.0 113.262 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.95 -30.11 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.144 0.424 . . . . 50.0 112.144 -174.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 t -97.6 -47.41 5.65 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.577 0.954 . . . . 50.0 113.577 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.32 174.97 37.44 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.743 -1.343 . . . . 25.0 109.743 -173.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.35 8.89 0.13 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 117.608 2.447 . . . . 50.0 117.608 -173.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -8.47 57.46 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.281 -0.887 . . . . 50.0 110.633 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.73 168.55 44.62 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-O 121.566 0.536 . . . . 50.0 113.028 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -154.42 164.76 38.14 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.592 -1.262 . . . . 50.0 107.592 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -114.18 140.21 48.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.1 -5.53 59.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.054 0.454 . . . . 50.0 111.217 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 108.041 -1.096 . . . . 50.0 108.041 -179.076 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.859 0 N-CA-C 110.104 -1.199 . . . . 25.0 110.104 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 tp -56.28 -33.47 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.199 0.523 . . . . 50.0 111.01 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.8 -32.87 59.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 122.135 -0.353 . . . . 50.0 111.636 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.99 -34.07 66.2 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 118.884 -1.126 . . . . 50.0 108.805 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -75.14 -40.15 59.91 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.599 -0.728 . . . . 50.0 112.919 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.7 m -106.34 -9.5 16.75 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.029 1.863 . . . . 50.0 116.029 -172.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.0 t -119.95 -44.98 2.49 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.463 0.574 . . . . 50.0 111.566 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -80.42 -13.26 59.28 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.586 -0.524 . . . . 50.0 109.586 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -144.43 178.23 8.09 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 105.209 -2.145 . . . . 50.0 105.209 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 p -99.07 153.44 18.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.533 -1.284 . . . . 25.0 107.533 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.0 p -139.62 165.06 28.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.872 0.368 . . . . 50.0 110.34 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.58 159.81 18.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.499 -1.297 . . . . 50.0 107.499 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.1 -30.6 68.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.3 0.482 . . . . 50.0 112.3 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.4 87.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.309 0.576 . . . . 25.0 110.474 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.54 -40.83 80.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.736 0.779 . . . . 50.0 108.921 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.48 -44.07 93.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.058 -0.974 . . . . 50.0 111.036 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.41 -31.2 54.59 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.128 0.489 . . . . 50.0 112.219 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.7 p -63.12 -16.12 58.98 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.766 1.025 . . . . 25.0 113.766 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -84.91 -0.38 53.94 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.579 0.585 . . . . 50.0 112.579 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.6 m -56.79 157.13 5.76 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.411 0.624 . . . . 50.0 111.646 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.12 -27.14 61.52 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.131 0.491 . . . . 25.0 110.035 177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 174.504 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.1 p . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 mt -126.1 121.56 33.25 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.016 -1.105 . . . . 50.0 108.016 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -160.62 -177.71 6.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.412 -1.329 . . . . 50.0 107.412 -177.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.61 82.97 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 115.112 0.805 . . . . 25.0 115.112 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.03 -29.98 7.54 Favored Glycine 0 C--O 1.225 -0.453 0 CA-C-O 119.264 -0.742 . . . . 50.0 113.614 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.11 -33.34 74.27 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 118.429 1.115 . . . . 50.0 109.216 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.63 -41.45 90.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.924 -0.58 . . . . 50.0 110.762 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.62 -38.49 76.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.021 -0.733 . . . . 50.0 109.021 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -47.25 84.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.302 -0.629 . . . . 50.0 109.302 175.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.9 m -63.18 -40.38 97.36 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -63.41 -37.65 88.09 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.01 -0.431 . . . . 50.0 110.244 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -68.41 -37.89 80.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.567 0.222 . . . . 50.0 110.601 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.35 -50.88 63.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.789 0.328 . . . . 50.0 111.832 177.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.73 -29.02 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 113.517 0.932 . . . . 50.0 113.517 -174.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -158.81 27.59 0.22 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.797 1.777 . . . . 50.0 115.797 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.09 -50.28 69.13 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.227 -0.987 . . . . 25.0 115.367 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.2 -35.24 78.28 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 122.034 0.921 . . . . 50.0 111.151 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -83.35 -3.74 57.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.21 -0.905 . . . . 50.0 112.275 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.97 155.03 7.4 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 121.376 0.431 . . . . 50.0 112.58 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -155.58 164.34 38.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.805 -0.813 . . . . 50.0 108.805 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -126.59 159.01 34.75 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.228 -0.656 . . . . 50.0 109.228 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.33 5.79 49.28 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.643 0.735 . . . . 50.0 110.245 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 p . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 105.975 -1.861 . . . . 50.0 105.975 -178.676 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.333 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 tp -66.76 -34.74 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.338 -0.616 . . . . 50.0 109.338 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.23 -39.38 85.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 CA-C-O 121.845 0.831 . . . . 50.0 109.862 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -72.84 -34.03 66.53 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.684 -0.635 . . . . 50.0 111.712 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.55 -32.41 28.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 114.562 1.319 . . . . 50.0 114.562 178.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.1 m -110.84 -14.98 13.9 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 116.423 2.008 . . . . 50.0 116.423 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 45.9 t -112.36 -49.49 2.96 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.204 0.911 . . . . 50.0 110.687 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -77.27 -14.04 59.83 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.133 0.492 . . . . 50.0 110.178 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -139.58 176.59 8.59 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.679 -1.6 . . . . 50.0 106.679 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.5 p -96.93 147.2 24.22 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.7 p -142.6 177.99 7.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.888 -0.782 . . . . 50.0 108.888 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -133.55 162.56 31.58 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.157 -1.423 . . . . 50.0 107.157 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -56.02 -30.98 62.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.295 0.85 . . . . 50.0 113.295 -175.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.52 80.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.948 0.404 . . . . 25.0 110.739 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 tt -69.27 -41.03 77.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.897 0.856 . . . . 50.0 109.562 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.23 -43.27 87.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.237 -0.892 . . . . 50.0 110.674 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.39 -19.92 57.67 Favored 'General case' 0 C--O 1.199 -1.592 0 N-CA-C 113.354 0.872 . . . . 50.0 113.354 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.8 p -65.58 -16.71 63.97 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -89.23 1.94 54.98 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.067 0.461 . . . . 50.0 111.885 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.4 t -65.49 154.41 38.63 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.769 -0.456 . . . . 50.0 109.769 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.57 -35.4 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.738 0.304 . . . . 25.0 111.158 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 176.262 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.4 p . . . . . 0 C--O 1.239 0.524 0 CA-C-O 120.918 0.39 . . . . 25.0 111.313 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 mt -141.82 129.62 21.72 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 106.875 -1.528 . . . . 50.0 106.875 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.0 m -142.75 161.94 36.78 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.822 0.344 . . . . 50.0 110.609 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.4 -144.81 48.81 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.989 -0.624 . . . . 25.0 112.567 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.77 -23.72 70.94 Favored Glycine 0 C--O 1.212 -1.244 0 C-N-CA 121.169 -0.539 . . . . 50.0 113.311 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.41 -33.69 76.54 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 117.93 0.865 . . . . 50.0 110.612 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 tp -66.93 -42.49 85.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.961 -0.755 . . . . 50.0 108.961 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.22 -41.62 92.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 N-CA-C 109.611 -0.514 . . . . 50.0 109.611 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -46.43 84.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.146 0.498 . . . . 50.0 110.1 177.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -62.75 -40.75 98.21 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.561 -0.456 . . . . 25.0 111.993 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -65.12 -38.68 91.43 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.117 -0.364 . . . . 50.0 110.479 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -67.0 -35.9 80.97 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 109.735 -0.469 . . . . 50.0 109.735 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -69.03 -50.85 44.99 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.614 0.598 . . . . 50.0 112.614 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -76.27 -30.22 19.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 113.256 0.836 . . . . 50.0 113.256 -173.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.6 m -102.54 -17.48 15.73 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.157 0.799 . . . . 50.0 113.157 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.425 ' C ' ' H ' ' A' ' 24' ' ' ARG . . . 78.4 178.4 49.67 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 109.585 -1.406 . . . . 25.0 109.585 -174.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -70.32 10.11 0.5 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.585 -0.808 . . . . 50.0 112.113 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 22' ' ' GLY . 10.4 mmm180 -82.89 -9.9 59.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.865 -0.522 . . . . 50.0 111.187 -177.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.89 161.58 25.71 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-O 122.558 1.088 . . . . 50.0 114.911 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -157.41 166.11 33.92 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.817 -1.92 . . . . 50.0 105.817 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -115.95 144.4 44.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.96 -0.756 . . . . 50.0 108.96 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.7 4.83 42.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.679 0.752 . . . . 50.0 110.06 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.218 -0.554 0 N-CA-C 105.594 -2.002 . . . . 50.0 105.594 179.758 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.208 0 N-CA-C 113.491 0.156 . . . . 25.0 113.491 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 tp -63.08 -35.11 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.961 -0.729 . . . . 50.0 109.948 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.01 -37.12 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.687 0.756 . . . . 50.0 110.203 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.7 -33.96 69.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.221 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.36 -33.89 19.0 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.909 1.077 . . . . 50.0 113.909 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -103.07 -20.1 14.31 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 115.498 1.666 . . . . 50.0 115.498 -175.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.6 t -110.51 -44.36 3.7 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.41 1.005 . . . . 50.0 111.182 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -82.76 -16.11 49.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.55 0.69 . . . . 50.0 110.571 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -138.27 -179.39 5.76 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.916 -1.883 . . . . 50.0 105.916 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 p -98.14 149.75 22.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.3 0.571 . . . . 25.0 109.725 174.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.9 p -142.14 176.59 8.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -132.68 161.32 34.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 105.397 -2.075 . . . . 50.0 105.397 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.83 -32.27 52.27 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 113.357 0.873 . . . . 50.0 113.357 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.13 82.4 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.96 0.41 . . . . 25.0 111.732 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.25 -40.43 81.95 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 122.034 0.921 . . . . 50.0 109.278 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.85 -43.09 94.83 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.018 -0.992 . . . . 50.0 110.6 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -58.24 -23.84 57.31 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.66 1.219 . . . . 50.0 113.69 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.6 p -60.16 -21.52 61.76 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 174.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -86.66 -4.11 59.13 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.375 1.25 . . . . 50.0 114.375 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.2 146.84 53.61 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.051 0.387 . . . . 50.0 110.646 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.32 -22.87 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.096 0.474 . . . . 25.0 111.178 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.088 -0.505 . . . . 25.0 109.667 -179.563 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 121.461 0.648 . . . . 25.0 109.422 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.5 mt -110.31 123.93 50.73 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.392 -0.822 . . . . 50.0 110.011 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.3 m -133.79 158.84 42.34 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.595 -0.73 . . . . 50.0 110.099 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.56 -142.34 47.75 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.646 -0.788 . . . . 25.0 112.465 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.93 -24.86 70.38 Favored Glycine 0 C--O 1.219 -0.81 0 C-N-CA 121.432 -0.413 . . . . 50.0 113.184 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.38 -38.03 79.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.845 0.831 . . . . 50.0 110.825 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.5 tp -70.58 -41.24 72.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.559 -0.746 . . . . 50.0 109.81 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.85 -44.19 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.134 -0.484 . . . . 50.0 110.109 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.474 ' HA ' HE22 ' A' ' 18' ' ' GLN . 55.7 m-20 -62.54 -36.06 81.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.697 0.284 . . . . 50.0 110.906 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 m -67.92 -40.69 83.35 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.811 -0.355 . . . . 25.0 111.103 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.61 -38.54 91.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.088 -0.338 . . . . 50.0 110.088 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.474 HE22 ' HA ' ' A' ' 15' ' ' ASP . 32.4 mt-30 -66.31 -41.51 89.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.864 -0.421 . . . . 50.0 109.864 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -65.45 -48.86 71.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.447 0.906 . . . . 50.0 113.447 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.01 -30.32 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.023 0.439 . . . . 50.0 111.686 -175.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -91.81 -41.49 10.62 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 113.167 0.803 . . . . 50.0 113.167 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.52 -159.01 33.03 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 104.907 -3.277 . . . . 25.0 104.907 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -66.29 3.62 0.88 Allowed 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 113.732 1.012 . . . . 50.0 113.732 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -80.08 -10.61 59.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.227 -0.92 . . . . 50.0 113.21 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.85 170.44 45.84 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 115.112 0.805 . . . . 50.0 115.112 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -155.65 170.95 20.83 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.8 0.44 . . . . 50.0 110.038 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -118.36 155.97 29.76 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.965 -1.124 . . . . 50.0 107.965 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.18 -0.99 52.68 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.372 0.606 . . . . 50.0 110.038 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 C--O 1.216 -0.685 0 N-CA-C 106.172 -1.788 . . . . 50.0 106.172 178.597 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 N-CA-C 110.737 -0.945 . . . . 25.0 110.737 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -56.38 -29.57 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 117.133 0.466 . . . . 50.0 111.374 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -67.7 -30.94 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 121.719 -0.613 . . . . 50.0 111.143 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -68.94 -36.45 77.96 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.225 -0.657 . . . . 50.0 109.225 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -79.59 -43.6 22.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.767 -0.652 . . . . 50.0 112.375 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.7 m -108.59 -13.9 14.73 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 116.463 2.023 . . . . 50.0 116.463 -170.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -109.17 -45.01 3.83 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.274 0.943 . . . . 50.0 110.708 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -83.78 -16.01 46.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.349 0.595 . . . . 50.0 110.561 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -138.45 173.87 11.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.354 -2.091 . . . . 50.0 105.354 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 p -92.99 153.24 18.86 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.5 p -141.87 164.24 30.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.197 0.523 . . . . 50.0 111.321 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -108.54 157.99 17.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.525 -0.917 . . . . 50.0 108.525 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -59.09 -29.3 67.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.805 0.668 . . . . 50.0 112.805 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.51 82.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.2 0.524 . . . . 25.0 110.305 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.76 -42.17 86.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.963 0.887 . . . . 50.0 109.071 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tt -58.9 -42.95 90.81 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.06 -0.973 . . . . 50.0 110.82 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -57.84 -21.04 40.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.035 0.754 . . . . 50.0 113.035 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.0 p -68.09 -16.2 63.91 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.282 -0.886 . . . . 25.0 112.465 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -93.89 -0.68 55.57 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.691 0.396 . . . . 50.0 110.887 175.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.8 t -72.52 156.35 39.11 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.36 -20.63 60.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.821 0.343 . . . . 25.0 111.021 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.5 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.523 -178.24 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.421 ' HB ' ' HA ' ' A' ' 49' ' ' CYS . 1.1 p . . . . . 0 C--O 1.236 0.351 0 CA-C-O 121.421 0.629 . . . . 25.0 110.795 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -102.41 114.32 28.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.06 -0.518 . . . . 50.0 110.288 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -125.28 -57.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.942 1.46 . . . . 50.0 114.942 -174.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.89 -134.67 6.49 Favored Glycine 0 C--O 1.222 -0.619 0 CA-C-N 116.323 -0.399 . . . . 25.0 113.363 -175.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.33 -24.48 55.78 Favored Glycine 0 C--O 1.216 -1.024 0 C-N-CA 121.217 -0.516 . . . . 50.0 113.45 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.92 -32.94 73.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.15 -0.618 . . . . 50.0 111.767 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.34 -40.35 70.77 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.638 -0.875 . . . . 50.0 108.638 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.36 -43.76 98.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.34 -47.12 82.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.287 0.565 . . . . 50.0 110.575 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -64.07 -38.73 92.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.958 0.408 . . . . 25.0 111.945 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.23 -38.79 91.49 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.092 -0.38 . . . . 50.0 110.114 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.34 -39.17 81.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.514 -0.55 . . . . 50.0 109.514 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.63 -47.23 82.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.535 0.569 . . . . 50.0 112.535 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.7 -25.57 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 N-CA-C 112.33 0.493 . . . . 50.0 112.33 -175.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.6 m -99.18 -29.63 12.73 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.303 1.964 . . . . 50.0 116.303 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.95 -172.52 54.33 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 108.128 -1.989 . . . . 25.0 108.128 -168.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.95 -3.94 2.94 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.963 1.468 . . . . 50.0 114.963 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -80.54 -5.93 57.47 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.045 1.128 . . . . 50.0 114.045 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.95 179.21 50.0 Favored Glycine 0 C--O 1.228 -0.259 0 N-CA-C 116.663 1.425 . . . . 50.0 116.663 173.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -158.77 170.9 21.11 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.321 -1.363 . . . . 50.0 107.321 -174.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.58 130.0 53.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.279 -0.637 . . . . 50.0 109.279 175.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -46.25 64.77 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 108.426 -0.953 . . . . 50.0 108.426 176.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 114.425 1.268 . . . . 50.0 114.425 -176.592 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 N-CA-C 114.945 0.738 . . . . 25.0 114.945 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.46 -41.63 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 118.222 1.011 . . . . 50.0 113.254 -173.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.02 -30.96 24.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 O-C-N 121.16 -0.962 . . . . 50.0 109.69 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -73.35 -34.01 65.4 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.201 -0.937 . . . . 50.0 110.99 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -84.63 -20.98 30.49 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.902 0.704 . . . . 50.0 112.902 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.2 m -110.02 -13.3 14.42 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.312 1.597 . . . . 50.0 115.312 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 42.3 t -112.74 -50.76 2.87 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.29 0.478 . . . . 50.0 112.29 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -78.03 -17.47 57.03 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.486 0.66 . . . . 50.0 109.523 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -143.04 171.05 14.58 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 104.11 -2.552 . . . . 50.0 104.11 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -91.54 158.19 16.6 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -140.05 160.87 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.846 -0.427 . . . . 50.0 109.846 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -96.54 155.01 16.95 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.977 -1.12 . . . . 50.0 107.977 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -59.08 -29.95 67.72 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 120.651 0.263 . . . . 50.0 110.952 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.81 75.63 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.019 0.438 . . . . 25.0 110.749 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.56 -40.44 80.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.741 0.781 . . . . 50.0 109.84 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.76 -42.52 93.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.221 -0.899 . . . . 50.0 110.066 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -57.5 -25.01 59.16 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 113.049 0.759 . . . . 50.0 113.049 -177.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.8 p -63.7 -16.1 60.17 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -86.76 0.63 54.38 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 112.16 0.429 . . . . 50.0 112.16 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 t -64.99 161.03 19.47 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.616 0.969 . . . . 50.0 113.616 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.11 -20.11 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.329 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 p . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 111.946 0.35 . . . . 25.0 111.946 -176.702 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 CA--C 1.519 -0.25 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 mt -135.51 130.54 34.79 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.519 0.728 . . . . 50.0 109.73 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.05 -179.65 8.23 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.483 . . . . 50.0 109.697 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.45 33.11 74.87 Favored Glycine 0 C--O 1.219 -0.828 0 N-CA-C 116.191 1.237 . . . . 25.0 116.191 171.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.32 -25.97 17.81 Favored Glycine 0 C--O 1.219 -0.798 0 C-N-CA 120.843 -0.694 . . . . 50.0 113.447 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -63.68 -29.24 70.5 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 122.187 0.994 . . . . 50.0 109.106 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 tp -62.41 -40.39 96.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.363 -0.835 . . . . 50.0 110.416 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.66 -39.41 78.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 N-CA-C 109.456 -0.572 . . . . 50.0 109.456 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.21 -44.06 87.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.776 0.798 . . . . 50.0 109.63 176.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -65.05 -40.19 94.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.72 -0.612 . . . . 25.0 112.262 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.08 -37.91 89.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.959 -0.386 . . . . 50.0 109.959 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.67 -40.49 84.43 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.667 -0.494 . . . . 50.0 109.667 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.83 -50.45 66.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.452 0.908 . . . . 50.0 113.452 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.24 -26.29 33.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 O-C-N 121.872 -0.517 . . . . 50.0 112.187 -175.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.9 m -102.38 -41.03 6.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 115.368 1.618 . . . . 50.0 115.368 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.34 -150.12 46.56 Favored Glycine 0 N--CA 1.432 -1.625 0 N-CA-C 108.735 -1.746 . . . . 25.0 108.735 -172.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.47 -19.7 26.01 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 112.55 -1.825 . . . . 50.0 115.921 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -73.59 -14.48 61.2 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.627 -0.671 . . . . 50.0 112.797 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.09 173.96 49.21 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 115.059 0.783 . . . . 50.0 115.059 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -157.4 170.37 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.992 -1.114 . . . . 50.0 107.992 -176.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -134.78 157.02 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.225 -0.658 . . . . 50.0 109.225 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.99 -13.6 52.89 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.716 0.77 . . . . 50.0 111.017 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.7 p . . . . . 0 C--O 1.216 -0.662 0 N-CA-C 104.146 -2.539 . . . . 50.0 104.146 177.086 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.065 0 CA-C-O 120.301 -0.166 . . . . 25.0 113.11 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 tp -59.12 -35.29 56.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.206 0.527 . . . . 50.0 111.724 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.31 -38.0 78.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 121.581 -0.7 . . . . 50.0 111.259 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -73.04 -33.88 65.96 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.267 -0.973 . . . . 50.0 111.09 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.31 -23.1 30.41 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.79 1.033 . . . . 50.0 113.79 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 94.7 m -110.49 -19.0 13.09 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 115.048 1.499 . . . . 50.0 115.048 -177.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.0 t -106.57 -52.05 2.85 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.905 0.775 . . . . 50.0 110.721 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -78.69 -15.72 58.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.293 0.568 . . . . 50.0 110.765 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -140.69 168.61 19.39 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 105.386 -2.079 . . . . 50.0 105.386 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.7 p -90.17 150.52 21.98 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.7 p -139.78 167.97 20.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.195 0.521 . . . . 50.0 110.266 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -120.6 157.01 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.671 -1.603 . . . . 50.0 106.671 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.19 -31.94 61.8 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 113.408 0.892 . . . . 50.0 113.408 -178.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.67 96.03 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.168 0.509 . . . . 25.0 111.473 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -72.17 -39.57 68.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.807 0.813 . . . . 50.0 109.413 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.69 -43.25 94.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.08 -0.964 . . . . 50.0 109.921 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -56.48 -20.94 22.52 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 113.429 0.9 . . . . 50.0 113.429 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.7 p -68.27 -16.11 63.83 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.254 -0.903 . . . . 25.0 112.725 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -94.27 2.04 55.91 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.348 0.594 . . . . 50.0 111.059 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.52 162.51 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.864 -1.162 . . . . 50.0 107.864 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.18 -28.96 69.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 122.206 -0.309 . . . . 25.0 111.275 -179.683 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.234 0.283 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.65 100.26 8.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.905 0.86 . . . . 50.0 110.395 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -149.54 -166.03 2.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.236 -0.893 . . . . 50.0 110.033 -174.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.22 32.33 83.5 Favored Glycine 0 C--O 1.219 -0.813 0 N-CA-C 115.168 0.827 . . . . 25.0 115.168 171.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.85 -28.18 5.59 Favored Glycine 0 C--O 1.227 -0.318 0 C-N-CA 120.867 -0.683 . . . . 50.0 113.024 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -65.7 -23.87 66.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.917 0.858 . . . . 50.0 109.549 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.9 tp -59.51 -43.94 93.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.534 -0.303 . . . . 50.0 110.547 173.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.48 -40.89 85.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 108.769 -0.826 . . . . 50.0 108.769 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -57.57 -40.75 79.65 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.5 0.667 . . . . 50.0 109.831 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -69.78 -39.73 76.46 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 121.724 -0.61 . . . . 25.0 112.458 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.58 -38.64 90.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.988 -0.745 . . . . 50.0 108.988 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.33 -37.41 80.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 50.0 110.893 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -66.97 -47.87 70.24 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.91 -0.494 . . . . 50.0 112.101 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.65 -32.07 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 N-CA-C 112.406 0.521 . . . . 50.0 112.406 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -160.31 33.85 0.17 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.485 1.661 . . . . 50.0 115.485 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.09 -27.09 68.34 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.646 -0.788 . . . . 25.0 113.979 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -74.26 -18.54 60.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.944 0.402 . . . . 50.0 111.305 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -93.89 -25.83 17.15 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 120.99 0.424 . . . . 50.0 110.59 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.18 160.81 35.69 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 108.697 -1.761 . . . . 50.0 108.697 -171.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -155.78 166.81 32.38 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.35 -0.611 . . . . 50.0 109.35 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -130.86 160.97 32.86 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.43 -1.88 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.11 0.481 . . . . 50.0 111.387 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 105.969 -1.863 . . . . 50.0 105.969 175.579 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.377 0 N-CA-C 110.466 -1.054 . . . . 25.0 110.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 HD13 ' HG ' ' A' ' 58' ' ' LEU . 4.4 tp -59.09 -41.25 82.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.883 0.373 . . . . 50.0 110.114 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.15 -32.94 59.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.95 0.405 . . . . 50.0 110.609 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.94 -33.54 65.99 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 119.557 -0.857 . . . . 50.0 110.425 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -83.53 -35.69 24.62 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 112.932 0.716 . . . . 50.0 112.932 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -101.59 -19.61 15.39 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 116.462 2.023 . . . . 50.0 116.462 -173.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.4 t -112.32 -45.29 3.28 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.252 0.478 . . . . 50.0 111.507 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -79.04 -15.37 58.32 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.958 0.409 . . . . 50.0 110.019 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -144.47 -179.62 6.67 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 104.117 -2.549 . . . . 50.0 104.117 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 m -96.94 153.02 18.15 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 175.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.3 p -143.72 164.94 29.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 50.0 110.764 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -103.62 156.83 17.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.534 -0.757 . . . . 50.0 109.572 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.85 -29.66 63.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.423 0.289 . . . . 50.0 111.633 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.72 -48.5 63.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 25.0 110.596 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.98 -40.03 87.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.777 0.798 . . . . 50.0 109.853 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HG ' HD13 ' A' ' 44' ' ' ILE . 3.0 tt -58.07 -44.85 87.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.037 -0.983 . . . . 50.0 110.035 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -60.89 -19.25 60.08 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.288 0.847 . . . . 50.0 113.288 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.9 p -69.57 -16.05 63.34 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.069 -1.019 . . . . 25.0 112.866 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -86.44 1.54 50.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.96 0.409 . . . . 50.0 112.047 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.3 m -74.62 162.19 28.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.876 -0.787 . . . . 50.0 108.876 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -18.68 64.42 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.026 0.441 . . . . 25.0 111.38 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 p . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 174.778 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.236 0.35 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.66 98.87 12.02 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.35 1.072 . . . . 50.0 110.185 -174.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.41 -168.5 3.12 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.259 -1.337 . . . . 50.0 110.319 -172.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.33 28.86 73.99 Favored Glycine 0 C--O 1.219 -0.795 0 N-CA-C 114.975 0.75 . . . . 25.0 114.975 173.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.93 -27.4 6.7 Favored Glycine 0 C--O 1.225 -0.457 0 CA-C-O 119.348 -0.695 . . . . 50.0 113.235 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -64.78 -23.57 67.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.24 1.02 . . . . 50.0 109.408 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.03 -41.03 82.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.253 -0.431 . . . . 50.0 110.71 174.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.26 -40.14 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.179 -0.675 . . . . 50.0 109.179 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.61 -39.95 93.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.408 0.623 . . . . 50.0 109.516 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -65.74 -41.65 91.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.827 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.27 -36.93 81.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.491 0.662 . . . . 50.0 109.825 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -70.65 -33.45 70.98 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.066 -0.515 . . . . 50.0 111.196 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -73.86 -49.41 25.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.211 0.819 . . . . 50.0 113.211 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.36 -27.51 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 112.558 0.577 . . . . 50.0 112.558 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 m -130.85 -54.47 1.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.967 0.729 . . . . 50.0 112.967 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.58 -102.21 0.18 Allowed Glycine 0 CA--C 1.517 0.208 0 N-CA-C 115.877 1.111 . . . . 25.0 115.877 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.5 -13.6 62.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.827 0.451 . . . . 50.0 112.063 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -71.39 -15.5 62.37 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.551 -0.537 . . . . 50.0 109.551 174.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.14 157.1 13.67 Favored Glycine 0 C--O 1.226 -0.362 0 N-CA-C 110.113 -1.195 . . . . 50.0 110.113 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 51.3 p90 -160.12 160.62 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.679 0.739 . . . . 50.0 110.572 178.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -131.38 161.17 33.01 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.385 -0.968 . . . . 50.0 108.385 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.34 -50.75 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.486 -0.931 . . . . 50.0 108.486 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 106.038 -1.838 . . . . 50.0 106.038 172.86 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.522 0 N-CA-C 112.154 -0.378 . . . . 25.0 112.154 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 tp -58.91 -32.04 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 117.339 0.57 . . . . 50.0 111.682 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.83 -36.09 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.542 0.687 . . . . 50.0 110.259 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.77 -38.17 70.37 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.723 -0.611 . . . . 50.0 110.418 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.45 -29.69 27.86 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.857 1.429 . . . . 50.0 114.857 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.6 m -109.45 -17.19 13.83 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.982 1.845 . . . . 50.0 115.982 -175.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.0 t -114.69 -44.07 3.1 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.43 0.53 . . . . 50.0 112.43 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -82.95 -15.92 49.41 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.97 0.891 . . . . 50.0 109.003 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -127.84 -159.71 0.96 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.291 -3.225 . . . . 50.0 102.291 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 t -136.76 150.92 48.66 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 104.748 -2.316 . . . . 25.0 104.748 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.5 p -136.84 163.44 30.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.098 0.475 . . . . 50.0 111.938 -172.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -99.68 160.58 14.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.577 -1.268 . . . . 50.0 107.577 174.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.65 -30.43 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.17 0.433 . . . . 50.0 112.17 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.13 91.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.157 0.504 . . . . 25.0 110.475 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.95 -41.7 77.66 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.133 -0.692 . . . . 50.0 109.133 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tt -58.89 -42.66 90.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.616 -0.72 . . . . 50.0 110.611 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -56.95 -24.08 50.24 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.861 0.689 . . . . 50.0 112.861 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 p -68.04 -16.33 63.98 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.237 -0.915 . . . . 25.0 113.219 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -89.74 1.95 55.46 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.108 0.48 . . . . 50.0 110.921 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 81.5 m -77.85 158.1 29.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 50.0 110.949 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.11 -28.47 62.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.198 -0.456 . . . . 25.0 112.225 -173.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 175.539 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 106.395 -1.706 . . . . 25.0 106.395 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.86 110.95 17.35 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.78 -1.192 . . . . 50.0 107.78 -176.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.85 -163.1 1.5 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.695 -0.684 . . . . 50.0 110.338 -170.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.49 29.28 72.99 Favored Glycine 0 C--O 1.218 -0.9 0 N-CA-C 115.23 0.852 . . . . 25.0 115.23 174.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.14 -28.3 6.24 Favored Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.923 -0.655 . . . . 50.0 112.739 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -63.86 -25.01 67.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.606 0.703 . . . . 50.0 109.492 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.41 -39.73 88.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.213 -0.449 . . . . 50.0 110.843 175.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.05 -40.56 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.524 -0.917 . . . . 50.0 108.524 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -37.92 87.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.477 0.656 . . . . 50.0 109.79 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -67.72 -40.45 84.26 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.547 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.68 -36.96 84.59 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.659 -0.497 . . . . 50.0 109.659 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -69.01 -37.95 78.95 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.468 -0.333 . . . . 50.0 110.822 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -68.24 -48.2 65.73 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.418 0.525 . . . . 50.0 112.418 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -74.13 -31.1 28.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 O-C-N 122.207 -0.308 . . . . 50.0 111.623 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.6 m -129.85 -56.14 1.13 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.597 1.332 . . . . 50.0 114.597 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.62 -106.51 0.6 Allowed Glycine 0 N--CA 1.462 0.385 0 N-CA-C 115.665 1.026 . . . . 25.0 115.665 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -59.13 -28.37 66.49 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.72 0.808 . . . . 50.0 112.54 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -64.06 -16.62 62.12 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.395 -0.366 . . . . 50.0 111.143 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.94 147.37 10.1 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.278 -1.129 . . . . 50.0 110.278 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 48.4 p90 -158.13 163.47 37.57 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.684 -0.858 . . . . 50.0 108.684 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -136.2 158.72 43.74 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.997 -0.742 . . . . 50.0 108.997 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.32 -12.0 59.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.89 -1.152 . . . . 50.0 107.89 174.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.214 -0.769 0 CA-C-N 115.503 -0.771 . . . . 50.0 111.459 -176.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.556 0 CA-C-O 120.068 -0.295 . . . . 25.0 113.192 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 tp -51.18 -33.88 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.511 0.724 . . . . 50.0 112.112 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 m -68.92 -26.21 31.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 121.888 -0.507 . . . . 50.0 112.169 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.7 -33.97 73.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.182 -0.673 . . . . 50.0 109.182 -177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.65 -36.21 14.51 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 113.498 0.925 . . . . 50.0 113.498 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.7 m -108.71 -10.89 15.13 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 117.131 2.271 . . . . 50.0 117.131 -173.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.6 t -116.27 -46.97 2.77 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.393 0.997 . . . . 50.0 111.513 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -80.93 -15.15 57.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.136 -0.69 . . . . 50.0 109.136 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -136.3 168.65 19.03 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 106.03 -1.841 . . . . 50.0 106.03 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 p -92.04 154.01 19.04 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.3 p -145.88 160.86 41.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.552 0.691 . . . . 50.0 112.781 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -89.07 156.02 19.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.009 -0.996 . . . . 50.0 108.447 175.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.08 -29.65 68.71 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 120.627 0.251 . . . . 50.0 110.495 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.98 -42.45 80.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.049 0.452 . . . . 25.0 111.081 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.03 -42.8 75.88 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.825 -0.805 . . . . 50.0 108.825 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tt -57.84 -42.09 83.69 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.011 -0.995 . . . . 50.0 110.052 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -57.36 -24.27 54.26 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.523 0.934 . . . . 50.0 113.523 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.5 p -67.05 -19.52 65.69 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.389 -0.819 . . . . 25.0 113.16 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -79.67 0.33 30.74 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.415 0.626 . . . . 50.0 112.255 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 71.0 m -77.67 165.91 23.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.672 0.748 . . . . 50.0 111.131 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.23 -23.45 61.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.323 -0.562 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 172.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.927 0 CA-C-O 122.612 1.196 . . . . 25.0 113.932 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -107.67 168.6 9.15 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.57 -1.27 . . . . 50.0 107.57 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -68.89 148.67 97.96 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 107.806 -1.183 . . . . 50.0 107.806 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -59.05 -28.27 87.37 Favored 'Trans proline' 0 C--N 1.347 0.477 0 O-C-N 122.025 0.487 . . . . 50.0 112.18 172.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -144.45 113.35 6.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 105.442 -2.059 . . . . 25.0 105.442 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -85.09 -13.42 50.39 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.478 -1.304 . . . . 50.0 107.478 174.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.1 p -84.14 165.84 18.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.668 -1.151 . . . . 25.0 110.211 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -128.51 127.68 42.88 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 122.792 0.437 . . . . 50.0 110.243 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.2 m -132.51 -47.01 0.89 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 115.69 1.737 . . . . 50.0 115.69 -174.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.81 -132.95 7.55 Favored Glycine 0 C--O 1.229 -0.164 0 CA-C-O 121.622 0.568 . . . . 25.0 114.03 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.33 -26.6 70.74 Favored Glycine 0 C--O 1.219 -0.811 0 C-N-CA 121.016 -0.612 . . . . 50.0 111.717 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -66.37 -26.5 67.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.795 0.295 . . . . 50.0 111.795 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.7 tp -72.36 -42.6 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.273 -1.01 . . . . 75.0 108.273 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.0 t -64.18 -39.69 86.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 50.0 109.531 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.35 -45.36 93.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 50.0 110.055 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.8 m -62.68 -40.11 96.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.805 0.336 . . . . 25.0 111.676 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.74 -38.46 91.18 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.213 -0.305 . . . . 50.0 110.439 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -67.47 -40.46 85.31 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 109.794 -0.447 . . . . 50.0 109.794 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -63.83 -50.42 68.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.911 0.708 . . . . 50.0 112.911 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.05 -30.24 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 121.109 0.481 . . . . 50.0 111.534 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -89.64 -33.98 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.215 0.82 . . . . 50.0 113.215 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.27 -136.77 30.57 Favored Glycine 0 N--CA 1.433 -1.505 0 N-CA-C 105.164 -3.174 . . . . 25.0 105.164 -169.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -79.09 2.21 21.53 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.968 -1.116 . . . . 50.0 113.355 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 -72.25 -21.1 61.43 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 121.051 -1.031 . . . . 50.0 113.116 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.95 163.46 30.15 Favored Glycine 0 C--O 1.223 -0.536 0 C-N-CA 121.193 -0.527 . . . . 50.0 112.691 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -152.09 170.5 19.79 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.577 0.688 . . . . 50.0 111.284 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.93 143.88 51.1 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.77 -16.76 43.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.552 0.691 . . . . 50.0 109.612 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -103.54 152.06 22.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.415 -0.812 . . . . 50.0 108.913 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.55 -53.54 64.74 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 120.176 -0.61 . . . . 50.0 112.258 175.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -74.97 142.22 27.67 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 117.832 -0.979 . . . . 50.0 111.708 173.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.53 -37.34 79.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.194 0.521 . . . . 25.0 111.439 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 t 60.76 -171.34 0.14 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.066 -0.97 . . . . 50.0 110.482 -175.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -146.18 21.71 1.38 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.482 0.658 . . . . 50.0 110.312 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.61 95.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.938 -1.134 . . . . 50.0 107.938 -177.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 m -72.99 71.65 1.09 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.936 -1.029 . . . . 50.0 113.019 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -84.32 169.16 14.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.947 -1.131 . . . . 50.0 107.947 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -75.32 -0.71 20.63 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 111.99 0.367 . . . . 50.0 111.99 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -120.73 83.9 36.6 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 122.678 0.391 . . . . 25.0 110.473 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.36 171.88 17.26 Favored 'Trans proline' 0 C--N 1.345 0.374 0 O-C-N 121.808 0.373 . . . . 50.0 111.847 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -77.75 171.86 14.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.63 -0.878 . . . . 50.0 108.63 173.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -68.81 160.16 31.06 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 116.444 -0.343 . . . . 50.0 110.264 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 175.39 -113.04 0.43 Allowed Glycine 0 C--O 1.219 -0.796 0 N-CA-C 117.513 1.765 . . . . 25.0 117.513 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.0 tp -57.98 -34.8 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 114.232 1.197 . . . . 50.0 114.232 -169.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -64.41 -31.0 51.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.289 0.566 . . . . 50.0 110.734 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.26 -40.23 93.66 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.01 -0.431 . . . . 50.0 111.346 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -90.92 -29.69 17.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.956 1.095 . . . . 50.0 113.956 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.3 m -102.29 -15.62 16.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 115.238 1.57 . . . . 50.0 115.238 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -115.8 -50.79 2.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.156 0.435 . . . . 50.0 111.803 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -76.97 -16.37 59.36 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.285 0.564 . . . . 50.0 109.822 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -135.5 -170.94 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 105.534 -2.024 . . . . 50.0 105.534 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.4 p -114.23 142.92 45.66 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -127.59 176.93 7.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.237 0.335 . . . . 50.0 110.282 -177.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -121.98 159.56 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.942 -1.873 . . . . 50.0 105.942 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -58.82 -31.46 68.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.118 0.414 . . . . 50.0 112.118 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.92 89.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.283 0.563 . . . . 25.0 110.708 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.55 -39.01 77.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.625 0.726 . . . . 50.0 109.213 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.48 -43.18 97.25 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.421 -0.809 . . . . 50.0 110.484 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.21 -18.12 56.65 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 113.215 0.82 . . . . 50.0 113.215 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.8 p -69.12 -16.31 63.63 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.082 -1.011 . . . . 25.0 112.14 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -90.96 -1.46 57.82 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.363 0.602 . . . . 50.0 110.849 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.75 158.7 34.14 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.365 -0.976 . . . . 50.0 108.365 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.02 -31.61 72.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.901 0.381 . . . . 25.0 111.007 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p -138.99 153.26 71.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 107.867 -1.16 . . . . 25.0 107.867 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -74.99 -178.84 4.44 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 120.685 0.923 . . . . 50.0 113.603 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.57 139.53 25.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.413 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -112.6 10.12 19.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 122.161 0.981 . . . . 50.0 109.895 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.5 t -86.99 89.68 8.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.738 -1.119 . . . . 25.0 109.343 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 . . . . . 0 C--O 1.302 3.844 0 CA-C-O 113.113 -3.327 . . . . 25.0 111.447 -179.42 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 123.393 1.568 . . . . 25.0 114.344 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -104.8 160.66 14.82 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.266 -0.879 . . . . 50.0 109.15 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.92 151.26 97.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 107.634 -1.247 . . . . 50.0 107.634 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.28 -31.25 94.8 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 N-CA-C 114.491 0.92 . . . . 50.0 114.491 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -96.28 38.49 1.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 114.774 1.398 . . . . 25.0 114.774 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -95.03 -31.67 13.49 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.784 -0.366 . . . . 50.0 110.792 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 p -125.71 151.2 46.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 -174.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.8 mt -135.44 129.44 33.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.119 -0.946 . . . . 50.0 108.636 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -148.46 164.75 33.22 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.898 -0.321 . . . . 50.0 110.161 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.25 -144.35 45.37 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 121.035 -0.602 . . . . 25.0 112.395 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.46 -22.65 71.49 Favored Glycine 0 C--O 1.219 -0.791 0 C-N-CA 121.132 -0.556 . . . . 50.0 113.597 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.67 -37.55 86.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.645 0.723 . . . . 50.0 109.68 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.5 tp -66.8 -42.05 86.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.892 -0.41 . . . . 75.0 109.892 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.61 -43.86 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.639 -0.504 . . . . 50.0 109.639 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.98 -37.62 80.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.99 0.424 . . . . 50.0 110.628 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 m -70.67 -39.6 73.45 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.728 -0.389 . . . . 25.0 111.865 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.14 -37.75 86.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.49 0.662 . . . . 50.0 109.591 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -69.97 -33.18 71.75 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.824 -0.625 . . . . 50.0 111.281 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -74.11 -47.11 38.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.237 0.829 . . . . 50.0 113.237 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.84 -25.97 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 112.344 0.498 . . . . 50.0 112.344 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.4 m -137.18 -53.85 0.69 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.294 0.85 . . . . 50.0 113.294 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.43 -100.2 0.09 OUTLIER Glycine 0 N--CA 1.464 0.527 0 N-CA-C 115.924 1.13 . . . . 25.0 115.924 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.82 -32.22 63.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.954 0.902 . . . . 50.0 112.048 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -72.56 -5.39 36.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 50.0 112.128 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.58 158.65 10.35 Favored Glycine 0 C--O 1.229 -0.192 0 CA-C-N 116.669 -0.241 . . . . 50.0 113.113 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -161.43 162.77 30.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.022 0.411 . . . . 50.0 111.165 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -130.61 151.77 50.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.33 -18.32 28.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.714 0.769 . . . . 50.0 111.017 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -112.12 163.94 13.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.814 -1.18 . . . . 50.0 107.814 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.62 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -70.0 -53.67 10.98 Favored Pre-proline 0 N--CA 1.468 0.47 0 C-N-CA 119.86 -0.736 . . . . 50.0 111.871 174.534 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.75 137.15 37.79 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 115.992 -2.206 . . . . 50.0 110.722 170.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.36 -50.29 40.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.341 0.591 . . . . 25.0 110.405 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m 52.56 -167.03 0.06 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.785 -1.098 . . . . 50.0 113.04 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -149.31 38.51 0.79 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.803 0.811 . . . . 50.0 109.7 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.34 76.09 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 122.164 0.983 . . . . 50.0 111.899 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -80.06 64.59 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.813 0.816 . . . . 50.0 109.928 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -99.43 25.92 6.55 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.043 -0.526 . . . . 50.0 110.131 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 57.9 18.39 4.97 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.286 1.035 . . . . 50.0 113.31 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -89.77 117.45 68.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.481 -0.562 . . . . 25.0 109.481 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.79 159.05 38.84 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 116.784 -1.677 . . . . 50.0 112.81 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -140.0 164.28 30.45 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.764 -1.569 . . . . 50.0 106.764 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.7 ptt85 -70.3 154.26 42.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.425 0.631 . . . . 50.0 109.809 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.78 -124.92 1.47 Allowed Glycine 0 N--CA 1.453 -0.228 0 N-CA-C 110.39 -1.084 . . . . 25.0 110.39 -173.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 tp -55.16 -35.44 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.644 0.609 . . . . 50.0 112.644 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.32 -39.45 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 O-C-N 121.482 -0.761 . . . . 50.0 111.183 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -66.94 -32.07 73.08 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.864 -0.522 . . . . 50.0 110.848 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -81.91 -40.32 22.52 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.25 -18.19 14.99 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 116.854 2.168 . . . . 50.0 116.854 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.6 t -109.64 -45.52 3.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.663 0.665 . . . . 50.0 111.398 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -76.09 -20.74 57.41 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.863 0.364 . . . . 50.0 110.337 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -145.21 178.41 8.09 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 106.007 -1.849 . . . . 50.0 106.007 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.5 p -88.24 152.94 21.61 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 123.483 0.49 . . . . 25.0 110.699 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.7 p -143.8 163.63 32.81 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.828 0.347 . . . . 50.0 111.595 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -109.18 157.86 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.586 -0.733 . . . . 50.0 109.296 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.52 -28.48 67.11 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.098 0.407 . . . . 50.0 112.098 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.49 78.16 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.215 0.531 . . . . 25.0 110.083 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.07 -40.93 91.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.9 0.857 . . . . 50.0 109.076 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.73 -43.37 90.17 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.961 -1.018 . . . . 50.0 110.897 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.59 -27.0 62.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.64 0.608 . . . . 50.0 112.64 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.9 p -67.77 -16.19 64.0 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.402 -0.811 . . . . 25.0 113.027 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -88.33 1.6 54.28 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.803 0.335 . . . . 50.0 111.686 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -73.38 161.79 30.05 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.142 -0.688 . . . . 50.0 109.142 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.3 -27.57 62.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.84 0.352 . . . . 25.0 110.958 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.5 p -83.3 153.24 65.72 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.474 -0.33 . . . . 25.0 111.589 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.14 -177.24 3.68 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 120.924 1.083 . . . . 50.0 111.261 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.94 61.46 0.57 Allowed 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.0 tttt 56.23 25.57 9.39 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.213 1.19 . . . . 50.0 114.213 178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.5 t -116.76 101.43 8.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.212 -1.032 . . . . 25.0 108.212 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--O 1.294 3.406 0 CA-C-O 113.907 -2.949 . . . . 25.0 111.789 -178.021 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 123.188 1.471 . . . . 25.0 114.264 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -79.5 143.01 35.29 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.236 -0.915 . . . . 50.0 109.5 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -71.09 142.42 87.46 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 106.95 -1.5 . . . . 50.0 106.95 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.42 -29.51 84.72 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 121.122 1.214 . . . . 50.0 115.163 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 m -154.94 117.05 4.19 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.613 -1.255 . . . . 25.0 107.613 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -105.13 -1.79 25.06 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.421 -0.955 . . . . 50.0 108.421 173.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.87 142.67 57.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.709 -1.132 . . . . 25.0 108.666 176.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.22 113.37 26.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.297 0.57 . . . . 50.0 111.827 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 -56.78 1.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.926 1.454 . . . . 50.0 114.926 -174.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.85 -137.39 8.11 Favored Glycine 0 C--O 1.221 -0.689 0 CA-C-N 116.281 -0.418 . . . . 25.0 113.837 -174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.29 -22.31 58.29 Favored Glycine 0 C--O 1.224 -0.5 0 C-N-CA 121.251 -0.5 . . . . 50.0 113.183 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -60.86 -37.67 82.91 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 121.015 0.436 . . . . 50.0 110.547 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.2 tp -67.54 -41.19 84.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.138 0.494 . . . . 50.0 109.974 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.88 -39.28 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.97 -0.752 . . . . 50.0 108.97 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.66 -41.7 97.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.379 -0.2 . . . . 50.0 110.742 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.5 m -66.33 -42.01 88.8 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 122.077 -0.39 . . . . 25.0 111.884 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.79 -38.65 86.05 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.72 -0.612 . . . . 50.0 109.809 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.54 -32.99 73.32 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 116.331 -0.395 . . . . 50.0 111.475 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -72.19 -42.72 65.52 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.713 -0.617 . . . . 50.0 111.473 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.7 -38.48 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 N-CA-C 112.345 0.498 . . . . 75.0 112.345 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.1 m -124.75 -8.38 7.31 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 116.698 2.11 . . . . 50.0 116.698 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.19 168.88 41.92 Favored Glycine 0 C--N 1.32 -0.342 0 CA-C-O 121.985 0.769 . . . . 25.0 111.448 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -79.4 15.12 1.33 Allowed 'General case' 0 N--CA 1.472 0.64 0 O-C-N 122.114 -0.639 . . . . 50.0 111.692 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -69.57 -18.65 63.66 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.059 0.762 . . . . 50.0 113.059 -174.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.14 149.28 5.48 Favored Glycine 0 CA--C 1.51 -0.256 0 C-N-CA 121.449 -0.405 . . . . 50.0 112.703 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -160.7 159.54 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.638 -1.616 . . . . 50.0 106.638 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -117.0 142.48 46.9 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.342 -0.614 . . . . 50.0 109.342 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -93.65 2.42 56.33 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.529 0.681 . . . . 50.0 112.01 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 p -146.97 151.73 37.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 104.149 -2.538 . . . . 50.0 104.149 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -68.27 -51.12 26.37 Favored Pre-proline 0 N--CA 1.471 0.615 0 N-CA-C 114.394 1.257 . . . . 50.0 114.394 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.39 138.06 38.05 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 116.734 -1.71 . . . . 50.0 111.807 174.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -118.51 -8.24 10.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.708 -0.678 . . . . 25.0 110.718 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.44 29.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 115.935 1.828 . . . . 50.0 115.935 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 53.08 44.27 30.59 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.78 0.659 . . . . 50.0 112.78 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.33 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 122.023 0.916 . . . . 50.0 111.105 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.4 t -146.43 110.1 4.87 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.184 -1.413 . . . . 50.0 107.184 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -148.81 151.9 35.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.176 -0.676 . . . . 50.0 109.176 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 57.87 38.48 27.13 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.277 0.985 . . . . 50.0 111.818 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 t 50.78 70.22 2.13 Favored Pre-proline 0 N--CA 1.476 0.867 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.63 164.96 33.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 117.791 -1.006 . . . . 50.0 111.98 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -109.66 172.13 7.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.309 -0.626 . . . . 50.0 109.309 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -71.12 172.42 9.21 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.431 -0.349 . . . . 50.0 110.392 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.08 -85.88 1.67 Allowed Glycine 0 C--O 1.22 -0.749 0 CA-C-N 116.296 -0.411 . . . . 25.0 113.141 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -58.07 -36.93 58.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 116.927 0.363 . . . . 50.0 110.925 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.07 -35.28 67.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 O-C-N 121.456 -0.777 . . . . 50.0 110.146 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.15 -39.72 86.57 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.462 -0.774 . . . . 50.0 110.53 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -84.65 -26.65 27.68 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.211 0.819 . . . . 50.0 113.211 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.1 m -103.63 -12.48 17.02 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 116.247 1.943 . . . . 50.0 116.247 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.2 t -118.01 -46.05 2.64 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.46 0.541 . . . . 50.0 112.46 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -83.4 -11.46 57.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.82 -0.807 . . . . 50.0 108.82 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -138.69 171.16 14.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 103.733 -2.691 . . . . 50.0 103.733 171.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.5 p -93.72 149.9 20.85 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.676 -1.601 . . . . 25.0 106.676 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.6 p -137.74 166.47 23.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.054 0.454 . . . . 50.0 110.392 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -112.06 167.41 10.42 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.31 -0.996 . . . . 50.0 108.31 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.57 -26.56 68.03 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 113.062 0.764 . . . . 50.0 113.062 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.42 -45.61 53.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.421 0.555 . . . . 25.0 110.14 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.37 -46.06 91.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.908 0.861 . . . . 50.0 108.991 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tt -57.11 -44.25 83.07 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.99 -1.004 . . . . 50.0 111.807 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -55.68 -28.14 54.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.062 -0.517 . . . . 50.0 112.166 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.4 p -65.3 -16.3 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.95 -3.85 56.96 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.026 0.38 . . . . 50.0 112.026 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.3 m -73.18 146.98 45.18 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.714 -0.476 . . . . 50.0 109.714 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.92 -25.08 61.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 -173.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.9 p -137.12 154.65 75.99 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -81.16 175.67 9.56 Favored 'Trans proline' 0 C--O 1.235 0.345 0 CA-C-O 121.964 0.735 . . . . 50.0 113.461 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.0 150.65 37.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.776 -1.102 . . . . 25.0 108.077 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.2 65.49 1.59 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.593 0.711 . . . . 50.0 109.8 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.1 p -85.88 40.34 0.85 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.886 0.851 . . . . 25.0 111.124 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? . . . . . 0 C--O 1.297 3.594 0 CA-C-O 115.198 -2.334 . . . . 25.0 112.789 -177.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 122.393 1.092 . . . . 25.0 113.75 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -71.91 153.15 42.04 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.206 -0.906 . . . . 50.0 110.75 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.76 146.43 52.72 Favored Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 106.868 -1.531 . . . . 50.0 106.868 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.03 -28.14 58.45 Favored 'Trans proline' 0 C--N 1.35 0.649 0 N-CA-C 116.509 1.696 . . . . 50.0 116.509 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 t -139.36 81.92 1.86 Allowed 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -74.9 0.72 14.71 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.829 0.823 . . . . 50.0 112.775 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 p -79.03 132.15 36.53 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.186 -1.413 . . . . 25.0 107.186 170.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.3 mt -129.62 119.6 23.85 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.905 0.882 . . . . 50.0 108.675 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.2 m -112.98 -164.89 0.95 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.832 -0.622 . . . . 50.0 111.205 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.46 138.17 23.96 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 121.047 -0.597 . . . . 25.0 114.18 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.27 -69.2 3.04 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-O 119.919 -0.379 . . . . 50.0 112.659 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -64.81 -33.62 76.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.687 0.743 . . . . 50.0 111.715 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.3 tp -65.86 -39.42 90.7 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 109.423 -0.584 . . . . 50.0 109.423 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.6 -41.04 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.72 -0.844 . . . . 50.0 108.72 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -63.91 -38.96 93.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.25 0.548 . . . . 50.0 110.052 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -64.69 -43.11 94.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.345 -0.389 . . . . 25.0 110.956 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.68 -37.32 83.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.898 -0.501 . . . . 50.0 110.256 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.77 -39.51 84.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 50.0 110.618 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.11 -44.3 80.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.236 0.458 . . . . 50.0 112.236 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -73.18 -42.78 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 122.048 -0.407 . . . . 50.0 111.839 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -150.3 29.91 0.7 Allowed 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 115.551 1.686 . . . . 50.0 115.551 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.43 -27.92 66.52 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 120.861 -0.685 . . . . 25.0 112.935 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.24 -37.91 73.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.516 0.674 . . . . 50.0 111.719 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.86 -21.63 17.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.526 -0.761 . . . . 50.0 112.81 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.77 166.0 40.63 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 109.79 -1.324 . . . . 50.0 109.79 -174.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -152.74 166.19 32.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.284 -0.539 . . . . 50.0 111.46 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -118.94 160.84 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.685 -1.598 . . . . 50.0 106.685 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.6 5.62 51.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 50.0 110.813 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.3 m -147.13 156.74 43.24 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 104.29 -2.485 . . . . 50.0 104.29 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -60.08 -52.42 73.55 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 112.998 0.74 . . . . 50.0 112.998 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -75.29 156.06 41.68 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 117.688 -1.074 . . . . 50.0 110.878 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.97 5.53 5.06 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.104 0.478 . . . . 25.0 111.905 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.7 m -58.02 134.3 56.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.03 -0.532 . . . . 50.0 111.263 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -125.93 51.95 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.668 0.747 . . . . 50.0 109.583 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 m -125.43 -177.77 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.286 -1.005 . . . . 50.0 108.286 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.4 t -146.46 -171.79 3.81 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 102.635 -3.098 . . . . 50.0 102.635 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 52.33 -178.44 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 125.583 1.553 . . . . 50.0 114.154 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 56.48 54.65 7.28 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.604 -0.888 . . . . 50.0 108.604 -170.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.1 p 75.63 151.98 0.14 Allowed Pre-proline 0 N--CA 1.482 1.149 0 C-N-CA 126.114 1.765 . . . . 25.0 111.361 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.58 154.13 68.85 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 118.07 -0.82 . . . . 50.0 112.316 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -126.81 140.95 51.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.427 -1.323 . . . . 50.0 107.427 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.12 163.79 20.64 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.326 0.862 . . . . 50.0 113.326 -173.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.8 32.35 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.567 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 tp -55.38 -35.14 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.694 0.798 . . . . 50.0 110.24 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.7 p -61.44 -32.09 52.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.227 0.454 . . . . 50.0 112.227 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -72.94 -38.19 66.88 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.522 -1.271 . . . . 50.0 110.237 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -28.46 54.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.005 0.372 . . . . 50.0 112.005 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.4 m -102.17 -27.84 12.66 Favored 'General case' 0 C--O 1.208 -1.092 0 N-CA-C 116.262 1.949 . . . . 50.0 116.262 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.7 t -106.77 -39.03 5.92 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.512 1.051 . . . . 50.0 111.659 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -89.16 -9.07 52.3 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.873 0.844 . . . . 50.0 110.053 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -139.51 -165.32 1.84 Allowed 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 102.764 -3.051 . . . . 50.0 102.764 171.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 p -120.71 153.76 36.52 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.8 p -143.1 165.81 26.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.258 0.551 . . . . 50.0 112.332 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -117.01 162.77 17.26 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.321 -0.992 . . . . 50.0 108.321 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.11 -30.44 68.11 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 111.92 0.341 . . . . 50.0 111.92 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.69 93.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.4 0.619 . . . . 25.0 110.808 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.97 -42.2 70.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.085 -0.709 . . . . 50.0 109.085 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.7 -43.59 90.07 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.565 -0.743 . . . . 50.0 111.728 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -55.57 -26.29 42.74 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.605 0.717 . . . . 50.0 112.005 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 p -68.77 -16.14 63.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.88 1.067 . . . . 25.0 113.88 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -91.99 -1.04 57.46 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.99 0.516 . . . . 50.0 111.148 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.1 m -74.83 167.7 21.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.941 -0.475 . . . . 50.0 110.654 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -13.94 62.16 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.137 0.494 . . . . 25.0 111.03 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.0 p -124.65 161.59 47.62 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.33 -177.09 3.28 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 118.158 -0.762 . . . . 50.0 110.294 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.93 140.15 38.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.404 -0.362 . . . . 25.0 110.781 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -76.52 45.47 0.39 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.72 1.008 . . . . 50.0 113.72 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.0 t -84.46 82.39 8.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.269 0.557 . . . . 25.0 111.005 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 . . . . . 0 C--O 1.305 3.991 0 CA-C-O 115.082 -2.39 . . . . 25.0 110.334 177.018 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 123.673 1.701 . . . . 25.0 114.247 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -107.66 161.42 14.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.822 -1.081 . . . . 50.0 108.997 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -97.31 147.56 33.14 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 106.464 -1.68 . . . . 50.0 106.464 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -59.83 -29.47 89.62 Favored 'Trans proline' 0 N--CA 1.474 0.346 0 O-C-N 122.157 0.556 . . . . 50.0 113.505 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -123.16 89.69 3.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.151 0.501 . . . . 25.0 110.111 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.3 -19.11 32.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.755 -0.657 . . . . 50.0 110.107 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p -83.59 163.51 20.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.867 -0.606 . . . . 25.0 111.047 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.2 mt -109.39 119.61 39.99 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.065 -0.516 . . . . 50.0 112.045 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.35 164.22 30.83 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.162 -0.681 . . . . 50.0 109.162 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.63 -145.44 47.47 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.955 -0.641 . . . . 25.0 113.115 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.66 -22.05 71.41 Favored Glycine 0 C--O 1.22 -0.73 0 C-N-CA 121.162 -0.542 . . . . 50.0 113.856 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.58 -36.63 83.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.952 0.876 . . . . 50.0 109.973 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.93 -42.06 90.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.454 -0.573 . . . . 50.0 109.454 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.39 -44.16 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.648 -0.501 . . . . 50.0 109.648 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.18 -37.83 78.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.168 0.509 . . . . 50.0 110.781 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.5 m -68.62 -42.36 78.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.987 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.7 -38.84 89.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.912 -0.492 . . . . 50.0 110.531 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -67.3 -35.1 78.76 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.796 -0.638 . . . . 50.0 110.733 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -73.97 -47.99 33.51 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.129 0.789 . . . . 50.0 113.129 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.0 -41.61 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.448 0.536 . . . . 50.0 112.448 -173.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 t -105.44 -26.62 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.954 1.094 . . . . 50.0 113.954 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.85 -173.6 35.11 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 109.096 -1.601 . . . . 25.0 109.096 -174.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.71 15.09 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 116.317 1.969 . . . . 50.0 116.317 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -13.48 62.28 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.118 -0.988 . . . . 50.0 112.388 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.69 159.67 34.57 Favored Glycine 0 C--O 1.225 -0.437 0 N-CA-C 110.247 -1.141 . . . . 50.0 110.247 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -156.98 164.15 38.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.962 -0.755 . . . . 50.0 108.962 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.46 147.33 49.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.872 -0.788 . . . . 50.0 108.872 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -82.27 -12.85 57.79 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.922 -0.487 . . . . 50.0 111.708 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -130.25 141.84 50.6 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 105.824 -1.917 . . . . 50.0 105.824 174.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -49.78 -48.01 78.27 Favored Pre-proline 0 N--CA 1.481 1.111 0 N-CA-C 119.761 3.245 . . . . 50.0 119.761 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -66.19 120.45 7.59 Favored 'Trans proline' 0 C--O 1.224 -0.191 0 C-N-CA 117.474 -1.217 . . . . 50.0 114.388 -175.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.66 26.84 0.77 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.769 -1.56 . . . . 25.0 112.592 -176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.2 t -61.35 141.47 57.58 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.163 -0.926 . . . . 50.0 109.258 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -79.09 52.44 1.29 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.277 0.843 . . . . 50.0 113.277 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.3 m -138.58 161.37 30.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 105.804 -1.924 . . . . 50.0 105.804 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.5 t -113.61 143.59 44.31 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.285 -1.376 . . . . 50.0 107.285 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -137.17 168.31 19.86 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.924 -1.139 . . . . 50.0 107.924 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.4 ptt85 -76.7 43.89 0.35 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.327 1.603 . . . . 50.0 115.327 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t 38.28 77.22 0.42 Allowed Pre-proline 0 N--CA 1.477 0.893 0 N-CA-C 115.913 1.819 . . . . 25.0 115.913 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -69.35 154.43 69.38 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 116.411 -1.926 . . . . 50.0 111.882 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -64.98 -26.38 68.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.933 0.716 . . . . 50.0 112.933 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -72.51 141.69 48.52 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 119.928 -0.709 . . . . 50.0 110.176 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.45 -148.15 16.69 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 107.167 -2.373 . . . . 25.0 107.167 -171.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -54.84 -34.05 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 112.86 0.689 . . . . 50.0 112.86 -175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -70.05 -42.29 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 O-C-N 120.987 -1.07 . . . . 50.0 110.058 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.43 -34.11 77.22 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.362 -0.836 . . . . 50.0 110.525 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.38 -37.83 51.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 114.1 1.148 . . . . 50.0 114.1 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.9 m -108.51 -11.36 15.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 116.585 2.068 . . . . 50.0 116.585 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 t -113.78 -48.2 2.93 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.028 0.376 . . . . 50.0 111.268 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -77.61 -13.36 59.93 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.346 0.593 . . . . 50.0 109.871 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -144.84 173.75 11.59 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 104.851 -2.278 . . . . 50.0 104.851 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.8 t -93.05 153.41 18.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 106.946 -1.501 . . . . 25.0 106.946 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.2 p -141.68 166.65 24.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.384 -0.599 . . . . 50.0 109.384 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -111.01 162.09 15.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.057 -1.09 . . . . 50.0 108.057 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.31 -27.81 68.76 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 112.568 0.581 . . . . 50.0 112.568 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.94 60.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.238 0.542 . . . . 25.0 109.797 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.99 -42.16 98.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.47 0.652 . . . . 50.0 109.78 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.56 -44.45 96.13 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.716 -0.675 . . . . 50.0 111.461 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -58.65 -24.36 61.02 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.767 0.655 . . . . 50.0 112.767 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 p -64.0 -16.19 61.05 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -90.67 0.59 57.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.825 0.345 . . . . 50.0 110.759 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.5 t -74.68 150.78 39.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.026 -0.731 . . . . 50.0 109.026 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.78 69.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.511 0.56 . . . . 25.0 112.511 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 p -139.47 158.08 69.26 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -77.14 176.83 9.63 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 117.542 -1.172 . . . . 50.0 112.409 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 115.88 7.98 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -81.31 47.2 1.01 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.768 0.794 . . . . 50.0 111.672 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.3 t -82.36 70.24 9.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.977 0.894 . . . . 25.0 109.959 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 . . . . . 0 C--O 1.304 3.923 0 CA-C-O 113.799 -3.0 . . . . 25.0 110.426 -179.676 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 122.449 1.118 . . . . 25.0 113.855 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -86.97 155.09 20.32 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.248 -0.887 . . . . 50.0 109.902 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -73.12 155.35 90.25 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.318 -0.623 . . . . 50.0 109.318 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.26 -30.86 92.2 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 118.484 -0.544 . . . . 50.0 111.981 170.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 m -125.0 91.75 3.5 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.659 -0.7 . . . . 25.0 109.946 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -84.22 -31.16 25.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 50.0 108.294 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 p -103.46 158.31 16.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.644 -1.613 . . . . 25.0 106.644 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.1 tp -127.21 111.74 14.31 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.628 -0.878 . . . . 50.0 108.628 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.76 147.17 32.62 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 114.406 1.261 . . . . 50.0 114.406 -172.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 -140.86 21.31 Favored Glycine 0 C--O 1.226 -0.394 0 C-N-CA 120.258 -0.972 . . . . 25.0 112.138 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.62 -32.97 85.97 Favored Glycine 0 C--O 1.221 -0.699 0 C-N-CA 120.95 -0.643 . . . . 50.0 114.653 -175.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -66.84 -30.13 70.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.616 0.708 . . . . 50.0 110.798 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -68.28 -41.1 81.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.646 -0.872 . . . . 50.0 108.646 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.44 -40.61 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.98 -0.378 . . . . 50.0 109.98 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.55 -43.05 99.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.652 -0.499 . . . . 50.0 109.652 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 m -63.81 -39.91 95.36 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.33 -39.26 92.47 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.829 -0.434 . . . . 50.0 109.829 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -68.45 -38.64 81.32 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.542 -0.299 . . . . 50.0 110.251 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -68.3 -48.95 63.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.059 0.763 . . . . 50.0 113.059 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.89 -29.26 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.881 0.697 . . . . 50.0 112.881 -172.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.9 m -118.71 -14.93 9.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.454 1.65 . . . . 50.0 115.454 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 24' ' ' ARG . . . 89.17 174.42 46.44 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 107.843 -2.103 . . . . 25.0 107.843 -172.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -70.69 15.22 0.1 Allowed 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 122.316 1.055 . . . . 50.0 112.61 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 22' ' ' GLY . 23.5 mmm180 -71.61 -1.99 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.157 -0.965 . . . . 50.0 112.029 -174.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.16 146.18 12.81 Favored Glycine 0 N--CA 1.453 -0.181 0 CA-C-O 121.468 0.482 . . . . 50.0 113.56 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.68 166.81 32.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.84 -1.17 . . . . 50.0 107.84 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -130.18 157.74 41.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.23 5.25 52.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.262 0.553 . . . . 50.0 110.063 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.4 m -137.3 161.78 35.32 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.053 -1.091 . . . . 50.0 108.053 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -52.34 -49.56 84.54 Favored Pre-proline 0 N--CA 1.477 0.899 0 N-CA-C 119.446 3.128 . . . . 50.0 119.446 -174.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.33 126.54 15.13 Favored 'Trans proline' 0 CA--C 1.515 -0.451 0 C-N-CA 117.89 -0.94 . . . . 50.0 113.564 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -126.59 4.63 6.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.558 -1.201 . . . . 25.0 112.616 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 t -77.12 49.28 0.66 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.441 0.904 . . . . 50.0 113.441 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 53.87 34.12 18.68 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.935 0.894 . . . . 50.0 112.895 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 m -135.83 146.76 29.02 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 108.364 -0.976 . . . . 50.0 108.364 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -152.84 133.16 13.6 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.088 -1.819 . . . . 50.0 106.088 173.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -93.14 -3.35 54.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 58.52 17.84 5.25 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.674 1.19 . . . . 50.0 113.752 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.06 144.53 67.73 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 108.533 -0.914 . . . . 25.0 108.533 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -68.6 123.31 10.34 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 116.956 -1.563 . . . . 50.0 110.458 175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -144.25 164.64 30.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.426 -0.953 . . . . 50.0 108.426 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -84.29 -164.32 0.93 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.463 -1.31 . . . . 50.0 107.463 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.14 -116.49 0.76 Allowed Glycine 0 C--O 1.216 -0.988 0 C-N-CA 120.868 -0.682 . . . . 25.0 113.088 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 tp -49.89 -36.07 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.881 0.848 . . . . 50.0 112.935 -175.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.92 -26.29 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.883 -0.599 . . . . 50.0 111.799 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.04 -34.82 78.53 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 121.467 -0.771 . . . . 50.0 110.388 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -91.66 -38.59 12.34 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 111.913 0.338 . . . . 50.0 111.913 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.9 m -98.34 -14.75 20.03 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 117.038 2.236 . . . . 50.0 117.038 -172.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.6 t -119.12 -45.51 2.55 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.295 0.498 . . . . 50.0 112.191 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -77.55 -17.69 57.65 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.908 -0.775 . . . . 50.0 108.908 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -140.04 -174.77 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.228 -2.508 . . . . 50.0 104.228 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.4 p -108.6 153.47 23.35 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 171.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p -138.19 164.09 30.07 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.666 0.617 . . . . 50.0 112.666 -174.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.72 152.65 21.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.707 -0.849 . . . . 50.0 108.707 176.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -64.04 -27.49 69.15 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.436 0.636 . . . . 50.0 109.68 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.28 82.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.413 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.89 -44.64 80.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.776 -0.824 . . . . 50.0 108.776 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.43 -43.15 79.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.906 -1.043 . . . . 50.0 110.977 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.67 -26.37 44.34 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.107 0.78 . . . . 50.0 113.107 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -65.52 -16.38 63.62 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.87 1.063 . . . . 25.0 113.87 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -85.42 -2.11 57.76 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.548 0.573 . . . . 50.0 112.548 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.0 m -75.83 161.37 29.06 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.966 -0.459 . . . . 50.0 112.108 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.28 -26.4 58.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.8 p -86.77 154.79 56.0 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.722 -0.672 . . . . 25.0 110.294 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -77.8 179.84 6.12 Favored 'Trans proline' 0 C--O 1.236 0.378 0 O-C-N 122.131 0.542 . . . . 50.0 112.062 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.76 135.64 57.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -92.01 30.78 1.35 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.258 0.551 . . . . 50.0 111.385 -176.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 m -83.09 71.0 10.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.698 0.761 . . . . 25.0 112.804 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 . . . . . 0 C--O 1.295 3.497 0 CA-C-O 115.082 -2.39 . . . . 25.0 112.886 177.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.956 0 CA-C-O 122.471 1.129 . . . . 25.0 113.686 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -91.32 160.83 15.3 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.111 -0.949 . . . . 50.0 109.584 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -70.75 147.72 94.51 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 108.118 -1.068 . . . . 50.0 108.118 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.71 -31.17 91.69 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 O-C-N 121.765 0.35 . . . . 50.0 112.775 172.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -128.56 81.84 2.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.477 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -78.26 -8.4 58.33 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 122.018 0.913 . . . . 50.0 109.247 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.6 p -113.42 165.42 12.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.55 -1.205 . . . . 25.0 109.665 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -124.96 121.55 34.76 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.702 -1.221 . . . . 50.0 107.702 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.87 -34.33 1.01 Allowed 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.401 1.63 . . . . 50.0 115.401 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.22 -146.73 12.41 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 121.234 -0.507 . . . . 25.0 112.849 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.77 -18.36 63.97 Favored Glycine 0 C--O 1.218 -0.892 0 CA-C-O 122.068 0.816 . . . . 50.0 111.245 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -58.53 -29.92 66.68 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.098 0.959 . . . . 50.0 112.03 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -73.22 -41.08 64.17 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.402 -0.962 . . . . 50.0 108.402 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.29 -39.59 85.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.521 -0.918 . . . . 50.0 108.521 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -62.13 -45.0 95.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 50.0 110.32 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -61.75 -41.4 97.63 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.104 -0.373 . . . . 25.0 111.949 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.75 -37.86 88.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.123 -0.361 . . . . 50.0 110.899 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -67.96 -41.35 82.55 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.715 -0.476 . . . . 50.0 109.715 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -65.77 -47.32 75.58 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.98 -28.88 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 -174.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.1 m -120.78 -18.93 7.52 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 117.411 2.374 . . . . 50.0 117.411 -175.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.01 -134.1 52.49 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-O 123.487 1.604 . . . . 25.0 112.826 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.99 -16.37 29.94 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 111.925 -2.137 . . . . 50.0 114.257 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -63.86 -23.85 67.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.486 0.55 . . . . 50.0 112.486 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.34 169.29 31.95 Favored Glycine 0 C--O 1.229 -0.183 0 N-CA-C 111.823 -0.511 . . . . 50.0 111.823 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 44.0 p90 -157.21 167.88 29.05 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.175 -0.603 . . . . 50.0 112.45 -177.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -129.64 158.18 40.04 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.332 -0.988 . . . . 50.0 108.332 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -88.86 -15.61 34.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.253 -0.647 . . . . 50.0 109.253 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 p -88.59 148.76 23.92 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.476 -0.935 . . . . 50.0 108.476 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -56.69 -53.43 64.68 Favored Pre-proline 0 N--CA 1.474 0.765 0 N-CA-C 115.126 1.528 . . . . 50.0 115.126 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.57 144.28 28.27 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 117.982 -0.879 . . . . 50.0 112.204 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.23 -10.62 59.55 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.921 0.867 . . . . 25.0 109.522 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.3 m -66.13 101.6 0.72 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.415 -0.811 . . . . 50.0 111.075 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -74.67 48.45 0.36 Allowed 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.689 0.996 . . . . 50.0 113.689 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -123.17 24.35 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 122.669 1.223 . . . . 50.0 108.91 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 m -70.69 47.42 0.1 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 115.636 1.717 . . . . 50.0 115.636 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -78.63 34.94 0.23 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.283 0.563 . . . . 50.0 112.151 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -111.88 24.68 12.4 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 123.169 0.588 . . . . 50.0 110.101 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 p 71.7 155.06 0.15 Allowed Pre-proline 0 N--CA 1.478 0.971 0 C-N-CA 125.09 1.356 . . . . 25.0 110.161 -172.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.34 150.88 87.46 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 118.336 -0.643 . . . . 50.0 111.544 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -149.55 172.67 14.63 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.646 -0.502 . . . . 50.0 109.646 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -65.17 167.05 8.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.826 0.676 . . . . 50.0 112.826 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.0 -114.52 0.42 Allowed Glycine 0 C--O 1.219 -0.815 0 N-CA-C 110.882 -0.887 . . . . 25.0 110.882 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.3 tp -46.45 -37.87 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.572 1.323 . . . . 50.0 114.572 -176.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 m -65.81 -26.26 38.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 CA-C-N 116.256 -0.429 . . . . 50.0 112.04 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -67.78 -35.63 79.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.166 -0.959 . . . . 50.0 110.899 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -92.53 -29.57 16.13 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 120.222 -0.591 . . . . 50.0 112.188 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.2 m -101.6 -14.13 17.56 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 116.42 2.008 . . . . 50.0 116.42 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.4 t -117.66 -52.72 2.44 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.584 0.629 . . . . 50.0 111.693 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -72.71 -23.07 60.81 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.033 -0.729 . . . . 50.0 109.033 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HG2' ' H ' ' A' ' 52' ' ' SER . 29.2 ttt-85 -130.86 -175.77 3.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 105.274 -2.121 . . . . 50.0 105.274 172.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.447 ' H ' ' HG2' ' A' ' 51' ' ' ARG . 63.9 p -107.9 153.13 23.48 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 105.373 -2.084 . . . . 25.0 105.373 170.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -134.82 159.33 41.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.213 0.53 . . . . 50.0 112.073 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.75 152.56 21.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.546 -1.65 . . . . 50.0 106.546 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.86 -27.66 68.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.991 0.424 . . . . 50.0 110.81 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.09 90.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.337 0.589 . . . . 25.0 111.001 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.31 -43.73 73.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.346 -0.983 . . . . 50.0 108.346 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.31 -42.52 81.97 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.667 -1.151 . . . . 50.0 111.024 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -55.3 -25.64 35.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.242 0.83 . . . . 50.0 113.242 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.7 p -67.14 -21.05 65.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.342 -0.849 . . . . 25.0 112.943 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -81.06 -7.51 59.57 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.191 0.52 . . . . 50.0 111.849 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 72.9 m -70.2 153.11 43.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.477 0.656 . . . . 50.0 111.279 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.32 -29.47 69.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.415 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.8 p -130.48 149.12 72.56 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -84.04 178.81 5.07 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 121.923 1.748 . . . . 50.0 114.188 -174.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.92 142.05 58.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 9.4 6.32 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.919 0.866 . . . . 50.0 110.603 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 m -97.49 82.95 3.17 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.476 -1.238 . . . . 25.0 108.281 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 C--O 1.303 3.901 0 CA-C-O 115.733 -2.08 . . . . 25.0 112.733 -175.139 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 122.773 1.273 . . . . 25.0 114.189 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -102.08 165.34 11.21 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 107.991 -1.115 . . . . 50.0 107.991 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -71.15 140.21 85.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 107.977 -1.12 . . . . 50.0 107.977 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.34 -27.07 84.03 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 120.558 0.839 . . . . 50.0 112.722 174.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -145.45 106.38 4.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 105.656 -1.979 . . . . 25.0 105.656 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.88 -15.62 55.82 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.603 0.716 . . . . 50.0 109.758 -176.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.3 p -130.25 158.38 39.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 171.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -135.54 130.93 35.35 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.38 -0.97 . . . . 50.0 108.38 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 -178.02 3.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.831 0.348 . . . . 50.0 111.271 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.85 92.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 118.66 2.224 . . . . 25.0 118.66 -171.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.26 -64.34 0.5 Allowed Glycine 0 C--O 1.222 -0.613 0 N-CA-C 109.14 -1.584 . . . . 50.0 109.14 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -67.18 -30.3 70.22 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 122.044 -0.68 . . . . 50.0 109.782 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.06 -35.33 80.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.104 -0.498 . . . . 50.0 111.372 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.97 -40.91 87.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.093 -0.706 . . . . 50.0 109.093 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.21 -43.49 98.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.056 -0.35 . . . . 50.0 110.056 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -63.22 -40.6 97.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.93 -39.97 95.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.356 . . . . 50.0 111.285 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -66.14 -41.91 89.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.728 -0.471 . . . . 50.0 109.728 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -68.41 -45.33 72.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.879 1.066 . . . . 50.0 113.879 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.59 -23.96 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 113.605 0.965 . . . . 50.0 113.605 -172.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.9 t -119.94 -43.78 2.54 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 115.581 1.697 . . . . 50.0 115.581 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.79 -156.9 15.72 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-O 122.962 1.312 . . . . 25.0 112.675 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -79.26 -2.59 41.95 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.544 -1.328 . . . . 50.0 113.704 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -70.12 -4.61 22.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 114.835 1.42 . . . . 50.0 114.835 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.93 157.8 28.18 Favored Glycine 0 C--O 1.22 -0.744 0 N-CA-C 111.739 -0.544 . . . . 50.0 111.739 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -154.27 168.07 27.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.618 -0.882 . . . . 50.0 108.618 -176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -119.76 155.9 31.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.033 -0.728 . . . . 50.0 109.033 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.1 7.08 47.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.934 0.873 . . . . 50.0 109.534 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -146.1 157.38 43.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.97 -1.493 . . . . 50.0 106.97 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -59.86 -51.11 83.1 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 112.437 0.532 . . . . 50.0 112.437 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.41 147.4 82.65 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 117.923 -0.918 . . . . 50.0 111.149 171.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.96 -23.44 67.41 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t 47.47 62.91 2.2 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.324 0.861 . . . . 50.0 113.324 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -73.38 53.75 0.41 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.945 0.898 . . . . 50.0 113.366 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.9 m -139.79 159.22 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 106.432 -1.692 . . . . 50.0 106.432 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 p -110.6 29.64 7.54 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.531 0.681 . . . . 50.0 111.352 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 -69.9 142.05 53.05 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.937 -0.764 . . . . 50.0 108.937 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -69.8 -19.1 63.5 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.434 0.901 . . . . 50.0 113.434 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -82.46 113.91 47.8 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 110.561 -0.163 . . . . 25.0 110.561 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -77.82 171.8 16.74 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 117.785 -1.01 . . . . 50.0 112.14 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -126.08 169.76 12.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.139 -1.43 . . . . 50.0 107.139 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -82.58 179.09 7.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.609 -0.268 . . . . 50.0 110.367 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.48 -101.33 0.22 Allowed Glycine 0 C--O 1.224 -0.471 0 CA-C-O 119.907 -0.385 . . . . 25.0 112.4 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 tp -55.11 -36.29 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 121.118 0.485 . . . . 50.0 111.399 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -70.39 -26.1 28.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 O-C-N 121.635 -0.666 . . . . 50.0 112.081 -176.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -72.16 -34.02 68.17 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.156 -0.965 . . . . 50.0 109.164 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -89.23 -32.09 17.58 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.859 -0.609 . . . . 50.0 112.267 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.6 m -108.78 -11.69 15.01 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 117.56 2.43 . . . . 50.0 117.56 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -114.35 -52.78 2.7 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.174 0.897 . . . . 50.0 110.674 176.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -72.76 -27.01 61.76 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -123.1 172.07 8.83 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 105.296 -2.112 . . . . 50.0 105.296 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 p -96.55 146.43 24.82 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 105.508 -2.034 . . . . 25.0 105.508 168.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -128.91 162.69 26.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 118.062 0.392 . . . . 50.0 110.776 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -89.88 152.0 21.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.371 -1.714 . . . . 50.0 106.371 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.53 -28.39 69.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.072 0.463 . . . . 50.0 109.948 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.78 -46.08 86.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.986 -0.552 . . . . 25.0 109.989 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.87 -43.23 84.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.66 0.743 . . . . 50.0 109.828 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.48 -44.15 84.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.33 -0.85 . . . . 50.0 111.607 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.97 -30.56 59.33 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 112.894 0.702 . . . . 50.0 112.894 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.4 p -63.67 -19.1 64.63 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.958 1.096 . . . . 25.0 113.958 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -76.07 -5.98 48.99 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.367 0.506 . . . . 50.0 112.367 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 t -67.88 147.94 51.83 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.28 77.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.225 0.536 . . . . 25.0 111.623 -175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p -142.62 157.08 62.81 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 104.785 -2.302 . . . . 25.0 104.785 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.39 178.8 6.86 Favored 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 117.346 -1.303 . . . . 50.0 112.577 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.23 142.49 51.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.809 -0.632 . . . . 25.0 109.668 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -82.95 27.13 0.56 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.389 0.514 . . . . 50.0 112.389 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.3 t -88.37 77.68 8.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.963 0.887 . . . . 25.0 110.946 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--O 1.301 3.8 0 CA-C-O 113.041 -3.361 . . . . 25.0 110.998 178.583 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 123.016 1.389 . . . . 25.0 113.958 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -104.1 153.9 20.35 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.419 -0.81 . . . . 50.0 109.26 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.69 119.33 75.15 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 106.475 -1.676 . . . . 50.0 106.475 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.48 -34.93 99.16 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 N-CA-C 115.913 1.466 . . . . 75.0 115.913 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -135.23 52.46 2.03 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.677 0.751 . . . . 25.0 111.807 -175.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.81 -17.17 61.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.205 0.817 . . . . 50.0 113.205 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.46 134.52 33.68 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 177.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.5 mt -122.36 125.96 47.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.112 -0.494 . . . . 50.0 110.006 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.64 165.9 26.13 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.669 -0.493 . . . . 50.0 109.669 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.16 -144.78 44.86 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.063 -0.589 . . . . 25.0 113.198 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.88 71.75 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 121.097 -0.573 . . . . 50.0 113.354 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -64.55 -38.35 90.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.705 0.753 . . . . 50.0 109.905 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 tp -66.2 -43.18 87.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.821 -0.627 . . . . 50.0 109.428 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.02 -42.92 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.249 -0.278 . . . . 50.0 110.249 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -60.56 -35.68 76.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.765 0.317 . . . . 50.0 110.235 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.2 m -72.98 -39.6 65.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.599 -0.44 . . . . 25.0 111.118 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.71 -38.17 89.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.041 0.448 . . . . 50.0 109.968 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -67.77 -39.1 84.15 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.417 -0.356 . . . . 50.0 110.246 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -65.49 -47.33 76.41 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.531 0.567 . . . . 50.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.02 -25.98 26.69 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 112.054 0.39 . . . . 75.0 112.054 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 88.3 m -103.8 -22.91 13.46 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 116.529 2.048 . . . . 50.0 116.529 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.46 -139.3 47.17 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-O 123.711 1.728 . . . . 25.0 111.341 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.89 -7.95 25.61 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 112.193 -2.004 . . . . 50.0 115.436 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -94.05 -9.55 36.38 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.186 1.55 . . . . 50.0 115.186 -174.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.51 178.24 51.88 Favored Glycine 0 C--N 1.322 -0.246 0 CA-C-O 122.305 0.947 . . . . 50.0 114.883 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -152.63 168.89 24.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.915 -0.643 . . . . 50.0 110.038 -174.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -127.12 133.6 50.36 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.979 -0.749 . . . . 50.0 108.979 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.95 -15.12 63.47 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.803 -0.561 . . . . 50.0 111.926 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.1 m -126.1 22.99 7.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.121 0.785 . . . . 50.0 113.121 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 67.65 156.25 0.14 Allowed Pre-proline 0 N--CA 1.489 1.502 0 C-N-CA 125.328 1.451 . . . . 50.0 110.755 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -63.48 139.44 70.62 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 117.216 -1.389 . . . . 50.0 113.455 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.53 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.075 0.464 . . . . 25.0 109.998 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t 53.27 -149.03 0.42 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.318 -0.856 . . . . 50.0 110.182 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -135.95 42.55 2.61 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.544 -0.91 . . . . 50.0 108.544 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.48 167.7 24.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 105.611 -1.996 . . . . 50.0 105.611 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.8 t -144.04 148.43 35.2 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.233 -1.025 . . . . 50.0 108.233 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -137.6 166.48 23.81 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 105.436 -2.061 . . . . 50.0 105.436 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -109.44 27.54 9.44 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.267 0.556 . . . . 50.0 110.678 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -88.89 139.46 29.17 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.711 -0.677 . . . . 25.0 109.449 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -69.78 151.38 68.94 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 116.048 -2.168 . . . . 50.0 110.356 172.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -152.83 166.92 30.76 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.759 0.314 . . . . 50.0 110.831 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -138.17 -179.07 5.56 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 106.487 -1.671 . . . . 50.0 106.487 177.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.55 167.87 30.22 Favored Glycine 0 C--O 1.238 0.349 0 N-CA-C 109.91 -1.276 . . . . 25.0 109.91 175.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 tp -58.11 -37.39 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.387 0.514 . . . . 50.0 112.387 -174.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.5 -35.29 74.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.747 -0.596 . . . . 50.0 111.02 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -73.04 -33.89 65.98 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 118.754 -1.179 . . . . 50.0 110.974 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.95 -28.46 22.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.347 0.869 . . . . 50.0 113.347 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 87.7 m -107.15 -14.7 14.85 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 116.504 2.039 . . . . 50.0 116.504 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.4 t -112.57 -50.69 2.88 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.05 0.841 . . . . 50.0 111.402 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -74.08 -15.46 61.06 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.081 0.467 . . . . 50.0 110.51 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -142.44 166.09 25.61 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 104.111 -2.552 . . . . 50.0 104.111 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 p -84.33 152.93 23.8 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.4 p -137.67 -178.81 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.834 -0.432 . . . . 50.0 109.834 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -128.75 160.33 32.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.841 -1.17 . . . . 50.0 107.841 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.17 -30.9 62.87 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.053 0.39 . . . . 50.0 112.053 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.58 91.34 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.248 0.547 . . . . 25.0 111.253 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.36 -40.82 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 50.0 109.208 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.58 -42.3 96.39 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.297 -0.865 . . . . 50.0 110.858 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -58.13 -22.14 49.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.145 0.795 . . . . 50.0 113.145 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.3 p -68.21 -16.38 63.95 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.239 -0.913 . . . . 25.0 112.512 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -87.54 -6.39 58.36 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.696 0.398 . . . . 50.0 111.748 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.1 154.14 38.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.402 -0.363 . . . . 50.0 111.201 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.99 -36.62 78.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 p -134.96 157.21 77.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.37 . . . . 25.0 111.031 -177.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -81.65 176.5 8.43 Favored 'Trans proline' 0 C--N 1.346 0.413 0 O-C-N 122.229 0.594 . . . . 50.0 112.3 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.76 148.77 32.86 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.206 -0.907 . . . . 25.0 110.086 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -142.17 116.73 9.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.158 -1.052 . . . . 50.0 108.158 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.5 t -141.04 116.67 10.25 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 . . . . . 0 C--O 1.291 3.281 0 CA-C-O 114.097 -2.859 . . . . 25.0 110.437 -179.521 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 123.573 1.654 . . . . 25.0 114.695 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -77.25 152.71 34.54 Favored 'General case' 0 C--O 1.225 -0.206 0 O-C-N 121.104 -0.997 . . . . 50.0 109.375 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.91 148.68 79.28 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 105.106 -2.183 . . . . 50.0 105.106 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -53.04 -53.46 6.73 Favored 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 116.467 1.68 . . . . 50.0 116.467 -173.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -156.3 36.9 0.33 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.825 0.822 . . . . 25.0 111.596 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -77.87 -34.08 51.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.397 -0.819 . . . . 50.0 109.095 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.6 p -122.81 140.32 53.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.946 -1.024 . . . . 25.0 109.089 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -129.32 125.03 35.82 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.696 -0.853 . . . . 50.0 108.696 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -127.31 -168.98 1.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.634 -0.506 . . . . 50.0 109.634 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.81 134.52 1.98 Allowed Glycine 0 CA--C 1.521 0.427 0 N-CA-C 115.747 1.059 . . . . 25.0 115.747 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.48 -69.09 3.43 Favored Glycine 0 C--O 1.226 -0.39 0 O-C-N 122.645 -0.327 . . . . 50.0 112.451 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -62.73 -39.56 94.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.365 0.603 . . . . 50.0 111.863 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.4 tp -63.73 -41.6 98.02 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.034 -0.53 . . . . 50.0 109.809 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.0 -42.82 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.155 -0.683 . . . . 50.0 109.155 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.36 -34.57 75.53 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 120.963 0.411 . . . . 50.0 110.449 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 m -73.75 -40.16 63.69 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.034 -0.416 . . . . 25.0 111.506 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.65 -39.43 93.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.999 -0.741 . . . . 50.0 108.999 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -66.89 -36.48 82.37 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.593 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -67.94 -50.23 57.13 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.364 0.505 . . . . 50.0 112.364 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.9 -27.87 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 122.114 -0.366 . . . . 50.0 111.952 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.7 m -97.48 -22.43 16.57 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.908 1.077 . . . . 50.0 113.908 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.77 -136.15 41.27 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 108.68 -1.768 . . . . 25.0 108.68 -172.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.79 7.66 4.49 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 112.66 -1.77 . . . . 50.0 113.784 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -93.89 -13.59 27.0 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.34 1.978 . . . . 50.0 116.34 -174.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.67 173.46 45.09 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.449 -0.881 . . . . 50.0 113.832 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -160.34 171.89 18.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.058 -0.719 . . . . 50.0 109.058 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -125.64 152.27 45.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.925 -0.768 . . . . 50.0 108.925 177.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.38 -12.1 41.34 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.117 0.484 . . . . 50.0 110.783 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 p -129.41 162.08 28.88 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 109.278 -0.638 . . . . 50.0 109.278 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -60.11 -53.3 66.4 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 114.108 1.151 . . . . 50.0 114.108 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.42 128.68 18.7 Favored 'Trans proline' 0 CA--C 1.516 -0.419 0 C-N-CA 116.415 -1.923 . . . . 50.0 111.368 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.41 -41.12 41.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.513 -1.222 . . . . 25.0 110.265 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 t 57.83 -164.74 0.17 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.738 -1.119 . . . . 50.0 109.991 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -145.82 23.03 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.566 0.698 . . . . 50.0 110.937 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.77 162.41 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 105.148 -2.167 . . . . 50.0 105.148 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.9 t -123.79 155.47 37.89 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.249 -1.76 . . . . 50.0 106.249 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -135.25 155.22 51.02 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.617 -1.253 . . . . 50.0 107.617 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -77.99 -16.07 58.42 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 121.206 0.527 . . . . 50.0 109.847 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 m -76.06 144.31 75.33 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -71.66 169.5 20.9 Favored 'Trans proline' 0 C--N 1.345 0.382 0 O-C-N 122.074 0.512 . . . . 50.0 113.006 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -121.24 165.73 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.036 -1.098 . . . . 50.0 108.036 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -117.71 159.74 22.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.155 -1.054 . . . . 50.0 108.155 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.5 -90.61 0.18 Allowed Glycine 0 C--O 1.228 -0.281 0 C-N-CA 121.56 -0.352 . . . . 25.0 112.772 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.7 tp -59.75 -37.7 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 122.343 -0.504 . . . . 50.0 111.032 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.98 -33.61 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 121.842 -0.536 . . . . 50.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -73.04 -33.89 65.97 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.633 0.73 . . . . 50.0 109.463 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.63 -38.64 39.23 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.47 -0.786 . . . . 50.0 112.949 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.7 m -104.88 -19.72 13.79 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 117.313 2.338 . . . . 50.0 117.313 -172.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.3 t -104.89 -50.03 3.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.642 1.11 . . . . 50.0 110.991 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -73.94 -21.91 59.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.088 0.47 . . . . 50.0 110.434 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -138.7 171.8 13.81 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 105.865 -1.902 . . . . 50.0 105.865 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -88.52 155.07 19.86 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.2 p -143.92 161.82 37.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.278 0.473 . . . . 50.0 112.278 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -101.59 156.7 17.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.799 -0.815 . . . . 50.0 108.799 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.63 -30.41 68.69 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.638 0.256 . . . . 50.0 111.355 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -46.65 76.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.298 0.571 . . . . 25.0 110.133 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.35 -40.18 89.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.093 -0.706 . . . . 50.0 109.093 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.14 -43.74 95.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.836 -0.62 . . . . 50.0 110.291 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.06 -21.17 58.73 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 113.027 0.751 . . . . 50.0 113.027 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 p -67.56 -16.22 64.07 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.251 -0.906 . . . . 25.0 112.621 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -92.13 1.82 56.97 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.864 0.364 . . . . 50.0 111.414 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -74.37 157.11 36.27 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.985 -0.376 . . . . 50.0 109.985 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.89 73.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.716 0.293 . . . . 25.0 111.709 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -144.13 158.04 55.95 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -77.09 178.74 7.27 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 118.535 -0.51 . . . . 50.0 112.751 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.62 137.18 58.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 177.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -83.45 45.52 1.06 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.449 0.537 . . . . 50.0 112.449 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.5 t -147.9 117.99 7.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 . . . . . 0 C--O 1.292 3.34 0 CA-C-O 112.992 -3.385 . . . . 25.0 114.65 -178.549 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 123.316 1.532 . . . . 25.0 113.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -81.09 154.96 26.52 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.298 -0.864 . . . . 50.0 108.822 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -94.59 147.59 33.47 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 108.848 -0.797 . . . . 50.0 108.848 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -59.74 -25.81 80.29 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 121.655 1.57 . . . . 50.0 115.232 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -150.28 120.76 7.41 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 104.726 -2.324 . . . . 25.0 104.726 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -112.33 12.42 20.21 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.344 -1.298 . . . . 50.0 109.893 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.9 p -128.76 163.98 23.98 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.26 -1.791 . . . . 25.0 107.793 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -128.76 128.2 43.52 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.556 -0.905 . . . . 50.0 108.556 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.98 164.85 31.63 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.852 -0.425 . . . . 50.0 109.852 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.35 -144.78 48.78 Favored Glycine 0 CA--C 1.516 0.117 0 C-N-CA 120.621 -0.799 . . . . 25.0 112.319 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.12 -23.58 73.06 Favored Glycine 0 C--O 1.217 -0.91 0 C-N-CA 121.112 -0.566 . . . . 50.0 113.739 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -65.77 -33.94 77.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.968 0.884 . . . . 50.0 110.422 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.1 tp -67.73 -41.42 83.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.076 -0.712 . . . . 50.0 109.076 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.01 -42.08 94.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 109.415 -0.587 . . . . 50.0 109.415 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -58.57 -43.23 89.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.291 0.567 . . . . 50.0 110.278 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -65.92 -40.34 91.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.978 -0.451 . . . . 25.0 111.878 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.12 -38.81 92.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.128 0.49 . . . . 50.0 109.745 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -68.82 -37.53 79.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.191 -0.459 . . . . 50.0 110.669 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -66.55 -49.12 67.5 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.129 0.418 . . . . 50.0 112.129 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.56 -34.46 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 112.424 0.527 . . . . 50.0 112.424 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -158.9 29.95 0.22 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 115.555 1.687 . . . . 50.0 115.555 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.59 -33.49 77.3 Favored Glycine 0 C--O 1.224 -0.483 0 C-N-CA 120.732 -0.747 . . . . 25.0 113.805 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.18 -35.67 73.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.439 0.638 . . . . 50.0 111.593 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -93.99 -9.6 36.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.894 -0.594 . . . . 50.0 111.744 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.42 160.35 27.49 Favored Glycine 0 C--N 1.321 -0.264 0 N-CA-C 111.705 -0.558 . . . . 50.0 111.705 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -152.24 163.25 39.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.203 -0.587 . . . . 50.0 110.046 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -131.5 132.22 44.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.238 0.542 . . . . 50.0 109.694 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -15.36 62.93 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.545 0.572 . . . . 50.0 112.545 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.3 m -115.5 24.85 11.26 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.411 0.523 . . . . 50.0 112.411 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 68.75 165.37 0.13 Allowed Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 124.99 1.316 . . . . 50.0 109.137 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -83.92 176.62 6.69 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 118.464 -0.557 . . . . 50.0 113.416 -167.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.05 -12.74 40.46 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.397 0.617 . . . . 25.0 110.449 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m -55.57 94.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 116.756 2.132 . . . . 50.0 116.756 -172.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 60.74 16.41 6.69 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.567 1.147 . . . . 50.0 112.861 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.69 74.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 122.517 1.151 . . . . 50.0 111.326 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 88.42 0.83 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.716 -1.129 . . . . 50.0 111.13 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -84.43 141.04 31.1 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 107.859 -1.163 . . . . 50.0 107.859 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -69.28 -38.28 78.26 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.372 -1.344 . . . . 50.0 107.372 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.9 p -154.49 148.0 18.54 Favored Pre-proline 0 C--O 1.243 0.746 0 N-CA-C 105.118 -2.179 . . . . 25.0 105.118 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.45 139.07 33.85 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 116.469 -1.887 . . . . 50.0 110.133 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -74.02 -36.99 64.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.516 0.674 . . . . 50.0 109.422 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.93 170.15 21.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.199 -0.909 . . . . 50.0 109.38 -174.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.16 178.64 16.5 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 109.431 -1.468 . . . . 25.0 109.431 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.13 -32.33 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.501 0.72 . . . . 50.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.0 t -62.88 -33.48 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.273 -0.421 . . . . 50.0 111.54 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -36.74 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.66 -0.65 . . . . 50.0 111.72 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.52 -26.92 16.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.01 0.745 . . . . 50.0 113.01 -175.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.0 m -103.13 -16.5 15.73 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 115.645 1.72 . . . . 50.0 115.645 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.3 t -116.36 -49.19 2.68 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.957 0.799 . . . . 50.0 111.799 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -77.76 -12.72 60.0 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.508 0.671 . . . . 50.0 110.021 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -140.12 -175.3 4.19 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 104.536 -2.394 . . . . 50.0 104.536 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.3 p -109.05 147.01 33.04 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.51 165.1 26.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 50.0 110.444 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -111.8 162.88 14.79 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.715 -1.587 . . . . 50.0 106.715 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.5 -27.33 67.52 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 113.237 0.829 . . . . 50.0 113.237 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.84 61.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.306 0.574 . . . . 25.0 110.289 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.98 -38.69 91.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.708 0.765 . . . . 50.0 109.127 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.14 -43.67 98.33 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.299 -0.864 . . . . 50.0 110.471 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -57.69 -23.82 53.57 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.366 0.603 . . . . 50.0 112.43 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.1 p -67.91 -16.43 64.07 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.052 -1.03 . . . . 25.0 113.148 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -85.73 -5.96 59.19 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.692 0.282 . . . . 50.0 111.513 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.87 161.72 30.51 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.679 -0.489 . . . . 50.0 109.679 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.57 75.88 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.477 0.656 . . . . 25.0 110.52 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 p -112.14 156.46 41.9 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -79.06 176.92 9.27 Favored 'Trans proline' 0 C--O 1.237 0.461 0 O-C-N 122.328 0.646 . . . . 50.0 112.061 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.87 137.1 58.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.971 -1.013 . . . . 25.0 111.524 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.66 13.58 34.5 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.579 0.704 . . . . 50.0 110.815 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 t -80.55 77.97 7.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.421 1.105 . . . . 25.0 110.145 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 C--O 1.294 3.423 0 CA-C-O 113.935 -2.936 . . . . 25.0 110.583 -179.195 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 122.405 1.098 . . . . 25.0 113.824 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -89.68 162.66 15.48 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.144 -0.934 . . . . 50.0 109.403 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -73.61 153.0 89.62 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.466 -0.939 . . . . 50.0 108.466 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -60.1 -27.68 85.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 O-C-N 121.929 0.436 . . . . 50.0 112.046 170.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -135.76 98.63 3.96 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -86.13 -16.08 39.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.807 0.813 . . . . 50.0 108.936 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.8 p -105.68 153.77 21.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.52 -1.289 . . . . 25.0 107.52 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -137.99 123.52 19.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.189 -0.671 . . . . 50.0 109.189 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.36 113.39 8.31 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.871 0.693 . . . . 50.0 112.871 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.37 -142.66 16.32 Favored Glycine 0 C--O 1.227 -0.32 0 C-N-CA 121.136 -0.554 . . . . 25.0 112.611 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.78 -27.48 72.75 Favored Glycine 0 C--O 1.219 -0.819 0 C-N-CA 120.963 -0.637 . . . . 50.0 112.498 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.33 -29.49 70.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.22 0.533 . . . . 50.0 111.156 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 tp -70.29 -40.43 74.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.644 -0.873 . . . . 50.0 108.644 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.99 -41.34 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.561 -0.533 . . . . 50.0 109.561 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.79 -48.66 80.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.183 0.516 . . . . 50.0 109.836 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -59.62 -41.69 90.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.262 -0.427 . . . . 25.0 111.665 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.77 -40.62 97.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.396 0.141 . . . . 50.0 111.06 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -66.54 -40.89 89.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.65 -0.5 . . . . 50.0 109.65 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.81 -52.69 48.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.262 0.838 . . . . 50.0 113.262 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.95 -30.11 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.144 0.424 . . . . 50.0 112.144 -174.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 t -97.6 -47.41 5.65 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.577 0.954 . . . . 50.0 113.577 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.32 174.97 37.44 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.743 -1.343 . . . . 25.0 109.743 -173.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.35 8.89 0.13 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 117.608 2.447 . . . . 50.0 117.608 -173.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -8.47 57.46 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.281 -0.887 . . . . 50.0 110.633 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.73 168.55 44.62 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-O 121.566 0.536 . . . . 50.0 113.028 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -154.42 164.76 38.14 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.592 -1.262 . . . . 50.0 107.592 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -114.18 140.21 48.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.1 -5.53 59.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.054 0.454 . . . . 50.0 111.217 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.1 m -138.53 150.78 46.72 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.041 -1.096 . . . . 50.0 108.041 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -62.22 -54.25 51.27 Favored Pre-proline 0 N--CA 1.473 0.699 0 N-CA-C 112.504 0.557 . . . . 50.0 112.504 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.84 128.58 10.94 Favored 'Trans proline' 0 CA--C 1.515 -0.466 0 C-N-CA 116.458 -1.895 . . . . 50.0 112.845 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.36 -24.93 34.25 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.576 -1.193 . . . . 25.0 109.37 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t 57.2 -155.2 0.33 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.996 -1.002 . . . . 50.0 108.677 -175.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -127.0 18.72 7.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.213 0.53 . . . . 50.0 109.674 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 m -133.64 128.71 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.826 -1.176 . . . . 50.0 107.826 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.4 t -81.68 89.69 6.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.49 0.662 . . . . 50.0 111.226 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 39' ' ' SER . 27.6 mtp180 -83.08 110.17 17.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.753 -0.462 . . . . 50.0 109.753 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -77.53 22.62 0.24 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.62 0.724 . . . . 50.0 111.037 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 37' ' ' ARG . 33.7 t -147.14 88.65 5.78 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 107.044 -1.465 . . . . 25.0 107.044 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -77.26 174.07 13.34 Favored 'Trans proline' 0 C--N 1.345 0.376 0 O-C-N 121.936 0.44 . . . . 50.0 111.349 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -121.67 -45.85 2.27 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 120.983 0.42 . . . . 50.0 110.539 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -148.51 166.35 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 50.0 110.079 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.5 -119.28 1.65 Allowed Glycine 0 C--O 1.218 -0.859 0 N-CA-C 110.104 -1.199 . . . . 25.0 110.104 -176.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 tp -56.28 -33.47 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.199 0.523 . . . . 50.0 111.01 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.8 -32.87 59.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 122.135 -0.353 . . . . 50.0 111.636 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.99 -34.07 66.2 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 118.884 -1.126 . . . . 50.0 108.805 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -75.14 -40.15 59.91 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.599 -0.728 . . . . 50.0 112.919 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.7 m -106.34 -9.5 16.75 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.029 1.863 . . . . 50.0 116.029 -172.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.0 t -119.95 -44.98 2.49 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.463 0.574 . . . . 50.0 111.566 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -80.42 -13.26 59.28 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.586 -0.524 . . . . 50.0 109.586 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -144.43 178.23 8.09 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 105.209 -2.145 . . . . 50.0 105.209 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 p -99.07 153.44 18.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.533 -1.284 . . . . 25.0 107.533 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.0 p -139.62 165.06 28.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.872 0.368 . . . . 50.0 110.34 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.58 159.81 18.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.499 -1.297 . . . . 50.0 107.499 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.1 -30.6 68.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.3 0.482 . . . . 50.0 112.3 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.4 87.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.309 0.576 . . . . 25.0 110.474 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.54 -40.83 80.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.736 0.779 . . . . 50.0 108.921 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.48 -44.07 93.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.058 -0.974 . . . . 50.0 111.036 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.41 -31.2 54.59 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.128 0.489 . . . . 50.0 112.219 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.7 p -63.12 -16.12 58.98 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.766 1.025 . . . . 25.0 113.766 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -84.91 -0.38 53.94 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.579 0.585 . . . . 50.0 112.579 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.6 m -56.79 157.13 5.76 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.411 0.624 . . . . 50.0 111.646 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.12 -27.14 61.52 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.131 0.491 . . . . 25.0 110.035 177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 p -82.85 154.94 68.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 174.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -75.55 177.05 9.18 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 CA-C-O 121.566 0.569 . . . . 50.0 112.609 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.99 148.5 43.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.195 -0.911 . . . . 25.0 109.54 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -77.77 27.43 0.17 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.706 0.632 . . . . 50.0 112.706 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m -80.87 68.26 7.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.628 0.727 . . . . 25.0 111.719 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 . . . . . 1 C--O 1.307 4.115 0 CA-C-O 114.283 -2.77 . . . . 25.0 111.926 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.929 0 CA-C-O 122.871 1.32 . . . . 25.0 114.097 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -108.6 164.31 12.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.091 -0.959 . . . . 50.0 109.035 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -66.6 147.37 99.01 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 106.314 -1.736 . . . . 50.0 106.314 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.13 -27.68 75.44 Favored 'Trans proline' 0 C--N 1.347 0.496 0 O-C-N 122.338 0.651 . . . . 50.0 112.223 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 p -136.32 101.05 4.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 122.062 0.934 . . . . 25.0 109.63 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -83.41 -22.03 32.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.891 -1.05 . . . . 50.0 109.081 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.1 p -136.01 162.59 32.44 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 173.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 mt -126.1 121.56 33.25 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.016 -1.105 . . . . 50.0 108.016 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -160.62 -177.71 6.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.412 -1.329 . . . . 50.0 107.412 -177.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.61 82.97 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 115.112 0.805 . . . . 25.0 115.112 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.03 -29.98 7.54 Favored Glycine 0 C--O 1.225 -0.453 0 CA-C-O 119.264 -0.742 . . . . 50.0 113.614 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.11 -33.34 74.27 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 118.429 1.115 . . . . 50.0 109.216 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.63 -41.45 90.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.924 -0.58 . . . . 50.0 110.762 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.62 -38.49 76.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.021 -0.733 . . . . 50.0 109.021 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -47.25 84.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.302 -0.629 . . . . 50.0 109.302 175.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.9 m -63.18 -40.38 97.36 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -63.41 -37.65 88.09 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.01 -0.431 . . . . 50.0 110.244 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -68.41 -37.89 80.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.567 0.222 . . . . 50.0 110.601 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.35 -50.88 63.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.789 0.328 . . . . 50.0 111.832 177.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.73 -29.02 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 113.517 0.932 . . . . 50.0 113.517 -174.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -158.81 27.59 0.22 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.797 1.777 . . . . 50.0 115.797 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.09 -50.28 69.13 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.227 -0.987 . . . . 25.0 115.367 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.2 -35.24 78.28 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 122.034 0.921 . . . . 50.0 111.151 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -83.35 -3.74 57.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.21 -0.905 . . . . 50.0 112.275 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.97 155.03 7.4 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 121.376 0.431 . . . . 50.0 112.58 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -155.58 164.34 38.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.805 -0.813 . . . . 50.0 108.805 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -126.59 159.01 34.75 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.228 -0.656 . . . . 50.0 109.228 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.33 5.79 49.28 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.643 0.735 . . . . 50.0 110.245 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 p -138.11 163.96 30.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 105.975 -1.861 . . . . 50.0 105.975 -178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -75.26 -54.47 2.47 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 119.798 -0.761 . . . . 50.0 112.908 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.62 138.31 23.86 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 118.413 -0.591 . . . . 50.0 112.005 175.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.88 -36.36 9.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.419 -0.81 . . . . 25.0 109.496 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t 59.55 -165.5 0.2 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.961 -1.018 . . . . 50.0 110.005 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -153.44 39.32 0.5 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.296 0.57 . . . . 50.0 110.779 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 m -141.93 141.18 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 106.464 -1.68 . . . . 50.0 106.464 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.3 t -81.57 71.37 8.58 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.682 0.754 . . . . 50.0 112.493 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -81.71 174.61 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.035 -1.098 . . . . 50.0 108.035 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -76.86 50.14 0.69 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.807 0.843 . . . . 50.0 112.715 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 p 74.54 150.78 0.13 Allowed Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.578 1.951 . . . . 25.0 112.561 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -79.0 171.86 15.79 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 120.135 0.557 . . . . 50.0 113.002 -178.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -73.59 170.75 14.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.097 -1.075 . . . . 50.0 108.097 175.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.28 168.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.578 0.704 . . . . 50.0 111.402 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.84 -67.62 0.03 OUTLIER Glycine 0 C--O 1.227 -0.333 0 CA-C-N 115.422 -0.808 . . . . 25.0 111.903 174.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 tp -66.76 -34.74 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.338 -0.616 . . . . 50.0 109.338 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.23 -39.38 85.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 CA-C-O 121.845 0.831 . . . . 50.0 109.862 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -72.84 -34.03 66.53 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.684 -0.635 . . . . 50.0 111.712 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.55 -32.41 28.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 114.562 1.319 . . . . 50.0 114.562 178.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.1 m -110.84 -14.98 13.9 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 116.423 2.008 . . . . 50.0 116.423 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 45.9 t -112.36 -49.49 2.96 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.204 0.911 . . . . 50.0 110.687 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -77.27 -14.04 59.83 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.133 0.492 . . . . 50.0 110.178 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -139.58 176.59 8.59 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.679 -1.6 . . . . 50.0 106.679 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.5 p -96.93 147.2 24.22 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.7 p -142.6 177.99 7.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.888 -0.782 . . . . 50.0 108.888 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -133.55 162.56 31.58 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.157 -1.423 . . . . 50.0 107.157 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -56.02 -30.98 62.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.295 0.85 . . . . 50.0 113.295 -175.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.52 80.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.948 0.404 . . . . 25.0 110.739 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 tt -69.27 -41.03 77.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.897 0.856 . . . . 50.0 109.562 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.23 -43.27 87.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.237 -0.892 . . . . 50.0 110.674 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.39 -19.92 57.67 Favored 'General case' 0 C--O 1.199 -1.592 0 N-CA-C 113.354 0.872 . . . . 50.0 113.354 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.8 p -65.58 -16.71 63.97 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -89.23 1.94 54.98 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.067 0.461 . . . . 50.0 111.885 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.4 t -65.49 154.41 38.63 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.769 -0.456 . . . . 50.0 109.769 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.57 -35.4 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.738 0.304 . . . . 25.0 111.158 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.4 p -71.3 150.99 94.35 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -77.91 175.25 11.41 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 N-CA-C 114.243 0.824 . . . . 50.0 114.243 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.83 51.18 1.08 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.746 -1.116 . . . . 25.0 112.962 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.6 tttt 56.2 27.31 11.47 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.855 0.862 . . . . 50.0 112.636 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.0 t -158.17 141.52 15.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 105.419 -2.067 . . . . 25.0 105.419 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 . . . . . 0 C--O 1.303 3.918 0 CA-C-O 115.362 -2.256 . . . . 25.0 113.849 -179.641 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.788 0 CA-C-O 123.317 1.532 . . . . 25.0 114.157 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -70.57 145.68 50.61 Favored 'General case' 0 N--CA 1.458 -0.058 0 O-C-N 121.063 -1.023 . . . . 50.0 109.53 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.02 145.29 93.24 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.628 -0.26 . . . . 50.0 111.44 -178.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -64.97 -43.26 12.21 Favored 'Trans proline' 0 C--O 1.221 -0.373 0 C-N-CA 120.389 0.726 . . . . 50.0 111.194 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -175.85 117.48 0.14 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.311 -0.859 . . . . 25.0 108.692 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -142.95 -77.09 0.25 Allowed 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 107.863 -1.162 . . . . 50.0 107.863 172.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.4 p -96.23 143.34 27.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.234 -0.439 . . . . 25.0 111.313 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 mt -141.82 129.62 21.72 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 106.875 -1.528 . . . . 50.0 106.875 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.0 m -142.75 161.94 36.78 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.822 0.344 . . . . 50.0 110.609 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.4 -144.81 48.81 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.989 -0.624 . . . . 25.0 112.567 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.77 -23.72 70.94 Favored Glycine 0 C--O 1.212 -1.244 0 C-N-CA 121.169 -0.539 . . . . 50.0 113.311 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.41 -33.69 76.54 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 117.93 0.865 . . . . 50.0 110.612 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 tp -66.93 -42.49 85.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.961 -0.755 . . . . 50.0 108.961 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.22 -41.62 92.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 N-CA-C 109.611 -0.514 . . . . 50.0 109.611 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -46.43 84.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.146 0.498 . . . . 50.0 110.1 177.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -62.75 -40.75 98.21 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.561 -0.456 . . . . 25.0 111.993 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -65.12 -38.68 91.43 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.117 -0.364 . . . . 50.0 110.479 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -67.0 -35.9 80.97 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 109.735 -0.469 . . . . 50.0 109.735 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -69.03 -50.85 44.99 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.614 0.598 . . . . 50.0 112.614 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -76.27 -30.22 19.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 113.256 0.836 . . . . 50.0 113.256 -173.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.6 m -102.54 -17.48 15.73 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.157 0.799 . . . . 50.0 113.157 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.425 ' C ' ' H ' ' A' ' 24' ' ' ARG . . . 78.4 178.4 49.67 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 109.585 -1.406 . . . . 25.0 109.585 -174.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -70.32 10.11 0.5 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.585 -0.808 . . . . 50.0 112.113 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 22' ' ' GLY . 10.4 mmm180 -82.89 -9.9 59.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.865 -0.522 . . . . 50.0 111.187 -177.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.89 161.58 25.71 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-O 122.558 1.088 . . . . 50.0 114.911 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -157.41 166.11 33.92 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.817 -1.92 . . . . 50.0 105.817 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -115.95 144.4 44.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.96 -0.756 . . . . 50.0 108.96 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.7 4.83 42.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.679 0.752 . . . . 50.0 110.06 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -145.04 -176.97 5.3 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 105.594 -2.002 . . . . 50.0 105.594 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' N ' ' HD2' ' A' ' 31' ' ' PRO . 38.3 mmt180 -80.35 -53.07 0.92 Allowed Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 115.353 1.612 . . . . 50.0 115.353 176.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 38.2 Cg_endo -61.83 144.43 96.84 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 CA-C-N 118.242 0.408 . . . . 50.0 111.655 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.48 -20.52 64.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 25.0 112.134 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 m 47.08 46.5 16.14 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.638 1.347 . . . . 50.0 114.638 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -79.2 50.39 1.06 Allowed 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.443 0.64 . . . . 50.0 111.354 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.89 136.33 26.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 105.723 -1.954 . . . . 50.0 105.723 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 t -78.67 101.21 7.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.161 0.505 . . . . 50.0 110.055 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -128.81 137.47 51.53 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 106.682 -1.599 . . . . 50.0 106.682 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -83.83 23.24 1.02 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.916 0.71 . . . . 50.0 112.916 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.6 t -147.08 96.72 4.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -77.39 157.41 32.94 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 118.085 -0.81 . . . . 50.0 112.628 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -87.36 159.76 18.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.979 -0.749 . . . . 50.0 108.979 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -89.52 173.33 8.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.804 -0.634 . . . . 50.0 110.667 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 167.37 -74.68 0.14 Allowed Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.295 -0.478 . . . . 25.0 113.491 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 tp -63.08 -35.11 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.961 -0.729 . . . . 50.0 109.948 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.01 -37.12 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.687 0.756 . . . . 50.0 110.203 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.7 -33.96 69.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.205 -0.452 . . . . 50.0 111.221 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.36 -33.89 19.0 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.909 1.077 . . . . 50.0 113.909 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -103.07 -20.1 14.31 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 115.498 1.666 . . . . 50.0 115.498 -175.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.6 t -110.51 -44.36 3.7 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.41 1.005 . . . . 50.0 111.182 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -82.76 -16.11 49.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.55 0.69 . . . . 50.0 110.571 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -138.27 -179.39 5.76 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.916 -1.883 . . . . 50.0 105.916 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 p -98.14 149.75 22.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.3 0.571 . . . . 25.0 109.725 174.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.9 p -142.14 176.59 8.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -132.68 161.32 34.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 105.397 -2.075 . . . . 50.0 105.397 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.83 -32.27 52.27 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 113.357 0.873 . . . . 50.0 113.357 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.13 82.4 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.96 0.41 . . . . 25.0 111.732 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.25 -40.43 81.95 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 122.034 0.921 . . . . 50.0 109.278 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.85 -43.09 94.83 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.018 -0.992 . . . . 50.0 110.6 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -58.24 -23.84 57.31 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.66 1.219 . . . . 50.0 113.69 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.6 p -60.16 -21.52 61.76 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 174.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -86.66 -4.11 59.13 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.375 1.25 . . . . 50.0 114.375 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.2 146.84 53.61 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.051 0.387 . . . . 50.0 110.646 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.32 -22.87 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.096 0.474 . . . . 25.0 111.178 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.2 p -133.27 158.4 75.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.088 -0.505 . . . . 25.0 109.667 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -80.52 176.52 9.06 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 118.404 -0.598 . . . . 50.0 112.344 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.12 119.21 13.98 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.197 -0.91 . . . . 25.0 109.795 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -83.88 72.03 10.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.633 0.73 . . . . 50.0 110.222 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.5 t -81.74 55.67 2.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.131 0.967 . . . . 25.0 110.34 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 . . . . . 0 C--O 1.3 3.757 0 CA-C-O 113.521 -3.133 . . . . 25.0 110.75 -177.259 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 122.803 1.287 . . . . 25.0 113.938 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -77.27 154.85 32.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.372 -0.831 . . . . 50.0 108.814 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -75.01 145.37 80.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.345 -0.983 . . . . 50.0 108.345 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.19 -32.79 94.93 Favored 'Trans proline' 0 C--N 1.347 0.454 0 N-CA-C 115.294 1.228 . . . . 50.0 115.294 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -159.78 117.5 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -105.1 -5.52 20.74 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.583 0.706 . . . . 50.0 110.425 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p -83.94 111.55 19.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.422 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.5 mt -110.31 123.93 50.73 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.392 -0.822 . . . . 50.0 110.011 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.3 m -133.79 158.84 42.34 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.595 -0.73 . . . . 50.0 110.099 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.56 -142.34 47.75 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.646 -0.788 . . . . 25.0 112.465 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.93 -24.86 70.38 Favored Glycine 0 C--O 1.219 -0.81 0 C-N-CA 121.432 -0.413 . . . . 50.0 113.184 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.38 -38.03 79.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.845 0.831 . . . . 50.0 110.825 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.5 tp -70.58 -41.24 72.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.559 -0.746 . . . . 50.0 109.81 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.85 -44.19 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.134 -0.484 . . . . 50.0 110.109 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.474 ' HA ' HE22 ' A' ' 18' ' ' GLN . 55.7 m-20 -62.54 -36.06 81.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.697 0.284 . . . . 50.0 110.906 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 m -67.92 -40.69 83.35 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.811 -0.355 . . . . 25.0 111.103 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.61 -38.54 91.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.088 -0.338 . . . . 50.0 110.088 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.474 HE22 ' HA ' ' A' ' 15' ' ' ASP . 32.4 mt-30 -66.31 -41.51 89.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.864 -0.421 . . . . 50.0 109.864 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -65.45 -48.86 71.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.447 0.906 . . . . 50.0 113.447 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.01 -30.32 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.023 0.439 . . . . 50.0 111.686 -175.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -91.81 -41.49 10.62 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 113.167 0.803 . . . . 50.0 113.167 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.52 -159.01 33.03 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 104.907 -3.277 . . . . 25.0 104.907 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -66.29 3.62 0.88 Allowed 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 113.732 1.012 . . . . 50.0 113.732 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -80.08 -10.61 59.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.227 -0.92 . . . . 50.0 113.21 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.85 170.44 45.84 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 115.112 0.805 . . . . 50.0 115.112 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -155.65 170.95 20.83 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.8 0.44 . . . . 50.0 110.038 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -118.36 155.97 29.76 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.965 -1.124 . . . . 50.0 107.965 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.18 -0.99 52.68 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.372 0.606 . . . . 50.0 110.038 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.0 p -153.28 149.49 27.97 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 106.172 -1.788 . . . . 50.0 106.172 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -58.26 -49.87 91.19 Favored Pre-proline 0 N--CA 1.473 0.699 0 N-CA-C 114.397 1.258 . . . . 50.0 114.397 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.33 136.2 36.35 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 117.349 -1.3 . . . . 50.0 112.486 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.33 18.13 7.51 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.252 -0.886 . . . . 25.0 111.144 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 p -54.46 107.19 0.26 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.584 0.957 . . . . 50.0 113.584 -174.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -87.15 49.42 1.81 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.483 -0.781 . . . . 50.0 111.559 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 m -129.67 142.77 43.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.106 -0.701 . . . . 50.0 109.106 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 t 48.71 32.63 3.7 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.562 1.319 . . . . 50.0 114.562 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -70.41 135.23 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.794 -0.566 . . . . 50.0 110.802 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -148.34 -49.46 0.16 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.975 -0.557 . . . . 50.0 109.9 171.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.1 m -152.68 147.12 18.85 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.75 152.75 58.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 116.876 -1.616 . . . . 50.0 109.73 173.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -126.03 -34.55 2.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.993 0.425 . . . . 50.0 110.53 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -141.41 176.6 8.73 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.196 -1.038 . . . . 50.0 108.196 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.18 -128.07 7.05 Favored Glycine 0 C--O 1.22 -0.757 0 N-CA-C 110.737 -0.945 . . . . 25.0 110.737 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -56.38 -29.57 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 117.133 0.466 . . . . 50.0 111.374 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -67.7 -30.94 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 121.719 -0.613 . . . . 50.0 111.143 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -68.94 -36.45 77.96 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.225 -0.657 . . . . 50.0 109.225 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -79.59 -43.6 22.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.767 -0.652 . . . . 50.0 112.375 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.7 m -108.59 -13.9 14.73 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 116.463 2.023 . . . . 50.0 116.463 -170.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -109.17 -45.01 3.83 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.274 0.943 . . . . 50.0 110.708 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -83.78 -16.01 46.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.349 0.595 . . . . 50.0 110.561 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -138.45 173.87 11.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.354 -2.091 . . . . 50.0 105.354 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 p -92.99 153.24 18.86 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.5 p -141.87 164.24 30.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.197 0.523 . . . . 50.0 111.321 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -108.54 157.99 17.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.525 -0.917 . . . . 50.0 108.525 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -59.09 -29.3 67.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.805 0.668 . . . . 50.0 112.805 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.51 82.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.2 0.524 . . . . 25.0 110.305 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.76 -42.17 86.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.963 0.887 . . . . 50.0 109.071 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tt -58.9 -42.95 90.81 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.06 -0.973 . . . . 50.0 110.82 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -57.84 -21.04 40.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.035 0.754 . . . . 50.0 113.035 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.0 p -68.09 -16.2 63.91 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.282 -0.886 . . . . 25.0 112.465 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -93.89 -0.68 55.57 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.691 0.396 . . . . 50.0 110.887 175.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.8 t -72.52 156.35 39.11 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.36 -20.63 60.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.821 0.343 . . . . 25.0 111.021 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.5 p -131.01 155.69 81.21 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.523 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -78.19 -179.32 5.34 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 120.259 0.639 . . . . 50.0 112.734 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.6 134.49 56.8 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.51 0.672 . . . . 25.0 110.481 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -103.11 43.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.52 -0.763 . . . . 50.0 111.621 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -134.78 58.9 1.75 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.814 0.816 . . . . 25.0 111.637 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 . . . . . 0 C--O 1.296 3.535 0 CA-C-O 114.67 -2.586 . . . . 25.0 111.707 178.095 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.885 0 CA-C-O 122.957 1.361 . . . . 25.0 114.379 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -105.67 163.47 12.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.235 -0.893 . . . . 50.0 109.631 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -109.33 157.67 36.61 Favored Pre-proline 0 C--O 1.216 -0.683 0 N-CA-C 109.432 -0.581 . . . . 50.0 109.432 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.4 -36.32 94.21 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 117.971 -0.886 . . . . 50.0 112.8 173.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -99.84 58.14 1.02 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.511 0.93 . . . . 25.0 113.511 -175.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -76.28 -26.44 55.9 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.087 -1.079 . . . . 50.0 108.087 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.421 ' HB ' ' HA ' ' A' ' 49' ' ' CYS . 1.1 p -78.12 146.1 35.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.382 -0.827 . . . . 25.0 110.795 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -102.41 114.32 28.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.06 -0.518 . . . . 50.0 110.288 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -125.28 -57.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.942 1.46 . . . . 50.0 114.942 -174.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.89 -134.67 6.49 Favored Glycine 0 C--O 1.222 -0.619 0 CA-C-N 116.323 -0.399 . . . . 25.0 113.363 -175.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.33 -24.48 55.78 Favored Glycine 0 C--O 1.216 -1.024 0 C-N-CA 121.217 -0.516 . . . . 50.0 113.45 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.92 -32.94 73.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.15 -0.618 . . . . 50.0 111.767 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.34 -40.35 70.77 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.638 -0.875 . . . . 50.0 108.638 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.36 -43.76 98.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 N-CA-C 109.417 -0.586 . . . . 50.0 109.417 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.34 -47.12 82.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.287 0.565 . . . . 50.0 110.575 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -64.07 -38.73 92.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.958 0.408 . . . . 25.0 111.945 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.23 -38.79 91.49 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.092 -0.38 . . . . 50.0 110.114 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.34 -39.17 81.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.514 -0.55 . . . . 50.0 109.514 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.63 -47.23 82.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.535 0.569 . . . . 50.0 112.535 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.7 -25.57 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 N-CA-C 112.33 0.493 . . . . 50.0 112.33 -175.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.6 m -99.18 -29.63 12.73 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.303 1.964 . . . . 50.0 116.303 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.95 -172.52 54.33 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 108.128 -1.989 . . . . 25.0 108.128 -168.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.95 -3.94 2.94 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.963 1.468 . . . . 50.0 114.963 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -80.54 -5.93 57.47 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.045 1.128 . . . . 50.0 114.045 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.95 179.21 50.0 Favored Glycine 0 C--O 1.228 -0.259 0 N-CA-C 116.663 1.425 . . . . 50.0 116.663 173.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -158.77 170.9 21.11 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.321 -1.363 . . . . 50.0 107.321 -174.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.58 130.0 53.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.279 -0.637 . . . . 50.0 109.279 175.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -46.25 64.77 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 108.426 -0.953 . . . . 50.0 108.426 176.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 m -84.08 36.24 0.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 114.425 1.268 . . . . 50.0 114.425 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 69.32 151.05 0.13 Allowed Pre-proline 0 N--CA 1.488 1.443 0 C-N-CA 125.797 1.639 . . . . 50.0 111.145 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -67.66 163.44 35.12 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 118.364 -0.624 . . . . 50.0 112.683 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.85 -18.64 61.42 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 120.939 0.4 . . . . 25.0 110.851 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -58.08 97.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 117.424 2.379 . . . . 50.0 117.424 -173.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 62.43 2.93 0.96 Allowed 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 115.895 1.813 . . . . 50.0 115.895 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.2 m -123.84 28.77 2.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 122.946 1.355 . . . . 50.0 107.699 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.32 67.4 0.19 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 113.154 -1.839 . . . . 50.0 114.194 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -78.11 1.79 20.04 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.623 -0.673 . . . . 50.0 112.73 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 53.26 33.42 15.43 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 114.251 1.204 . . . . 50.0 114.251 174.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -127.58 137.05 29.9 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -67.08 145.06 72.0 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 116.506 -1.863 . . . . 50.0 109.305 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -156.61 174.84 14.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.367 -0.208 . . . . 50.0 111.144 -171.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -109.46 -93.56 0.42 Allowed 'General case' 0 C--O 1.209 -1.07 0 N-CA-C 109.026 -0.731 . . . . 50.0 109.026 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.07 -73.1 2.58 Favored Glycine 0 C--O 1.22 -0.727 0 N-CA-C 114.945 0.738 . . . . 25.0 114.945 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.46 -41.63 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 118.222 1.011 . . . . 50.0 113.254 -173.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.02 -30.96 24.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 O-C-N 121.16 -0.962 . . . . 50.0 109.69 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -73.35 -34.01 65.4 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.201 -0.937 . . . . 50.0 110.99 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -84.63 -20.98 30.49 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.902 0.704 . . . . 50.0 112.902 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.2 m -110.02 -13.3 14.42 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.312 1.597 . . . . 50.0 115.312 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 42.3 t -112.74 -50.76 2.87 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.29 0.478 . . . . 50.0 112.29 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -78.03 -17.47 57.03 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.486 0.66 . . . . 50.0 109.523 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -143.04 171.05 14.58 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 104.11 -2.552 . . . . 50.0 104.11 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -91.54 158.19 16.6 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -140.05 160.87 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.846 -0.427 . . . . 50.0 109.846 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -96.54 155.01 16.95 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.977 -1.12 . . . . 50.0 107.977 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -59.08 -29.95 67.72 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 120.651 0.263 . . . . 50.0 110.952 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.81 75.63 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.019 0.438 . . . . 25.0 110.749 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.56 -40.44 80.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.741 0.781 . . . . 50.0 109.84 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.76 -42.52 93.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.221 -0.899 . . . . 50.0 110.066 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -57.5 -25.01 59.16 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 113.049 0.759 . . . . 50.0 113.049 -177.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.8 p -63.7 -16.1 60.17 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -86.76 0.63 54.38 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 112.16 0.429 . . . . 50.0 112.16 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 t -64.99 161.03 19.47 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.616 0.969 . . . . 50.0 113.616 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.11 -20.11 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.329 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 p -124.82 155.34 70.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 111.946 0.35 . . . . 25.0 111.946 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -80.84 179.92 5.63 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 120.914 1.076 . . . . 50.0 113.353 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.65 149.77 45.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.508 -0.769 . . . . 25.0 109.535 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -122.27 47.43 1.92 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.946 0.879 . . . . 50.0 110.349 -177.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 m -79.47 58.82 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 1 C--O 1.308 4.18 0 CA-C-O 113.819 -2.991 . . . . 25.0 111.736 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 123.644 1.688 . . . . 25.0 114.392 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -93.06 161.19 14.53 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 114.907 -1.042 . . . . 50.0 110.25 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -89.53 145.3 33.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 104.886 -2.264 . . . . 50.0 104.886 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -55.57 -33.81 87.9 Favored 'Trans proline' 0 C--N 1.347 0.458 0 N-CA-C 117.846 2.21 . . . . 50.0 117.846 -173.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -147.95 57.12 1.09 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 -175.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -123.4 -29.65 3.78 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.861 0.689 . . . . 50.0 112.861 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 p -124.02 145.26 49.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 mt -135.51 130.54 34.79 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.519 0.728 . . . . 50.0 109.73 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.05 -179.65 8.23 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.483 . . . . 50.0 109.697 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.45 33.11 74.87 Favored Glycine 0 C--O 1.219 -0.828 0 N-CA-C 116.191 1.237 . . . . 25.0 116.191 171.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.32 -25.97 17.81 Favored Glycine 0 C--O 1.219 -0.798 0 C-N-CA 120.843 -0.694 . . . . 50.0 113.447 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -63.68 -29.24 70.5 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 122.187 0.994 . . . . 50.0 109.106 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 tp -62.41 -40.39 96.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.363 -0.835 . . . . 50.0 110.416 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.66 -39.41 78.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 N-CA-C 109.456 -0.572 . . . . 50.0 109.456 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.21 -44.06 87.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.776 0.798 . . . . 50.0 109.63 176.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -65.05 -40.19 94.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.72 -0.612 . . . . 25.0 112.262 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.08 -37.91 89.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.959 -0.386 . . . . 50.0 109.959 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.67 -40.49 84.43 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.667 -0.494 . . . . 50.0 109.667 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.83 -50.45 66.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.452 0.908 . . . . 50.0 113.452 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.24 -26.29 33.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 O-C-N 121.872 -0.517 . . . . 50.0 112.187 -175.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.9 m -102.38 -41.03 6.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 115.368 1.618 . . . . 50.0 115.368 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.34 -150.12 46.56 Favored Glycine 0 N--CA 1.432 -1.625 0 N-CA-C 108.735 -1.746 . . . . 25.0 108.735 -172.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.47 -19.7 26.01 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 112.55 -1.825 . . . . 50.0 115.921 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -73.59 -14.48 61.2 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.627 -0.671 . . . . 50.0 112.797 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.09 173.96 49.21 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 115.059 0.783 . . . . 50.0 115.059 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -157.4 170.37 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.992 -1.114 . . . . 50.0 107.992 -176.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -134.78 157.02 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.225 -0.658 . . . . 50.0 109.225 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.99 -13.6 52.89 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.716 0.77 . . . . 50.0 111.017 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.7 p -131.63 153.62 49.75 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 104.146 -2.539 . . . . 50.0 104.146 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -56.35 -49.91 90.67 Favored Pre-proline 0 N--CA 1.475 0.817 0 N-CA-C 117.14 2.274 . . . . 50.0 117.14 -176.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.86 127.8 14.19 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 117.593 -1.138 . . . . 50.0 114.021 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.76 -36.53 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.539 -1.209 . . . . 25.0 111.008 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.3 t 56.73 -156.96 0.28 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.202 -0.908 . . . . 50.0 109.675 -174.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -130.66 14.16 5.41 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.083 0.468 . . . . 50.0 110.085 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.41 117.21 35.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.208 -0.664 . . . . 50.0 109.208 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.2 t -76.72 105.36 7.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.628 -0.879 . . . . 50.0 108.628 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -96.61 131.71 42.99 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.988 -1.116 . . . . 50.0 107.988 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.28 13.72 0.68 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.953 1.094 . . . . 50.0 113.953 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.9 t -142.33 89.66 8.43 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -74.63 164.43 33.78 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 118.005 -0.864 . . . . 50.0 112.439 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -83.26 175.2 10.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.721 -0.844 . . . . 50.0 108.721 175.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.01 170.5 9.74 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.115 -0.698 . . . . 50.0 109.115 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.59 -89.08 0.13 Allowed Glycine 0 C--N 1.324 -0.096 0 C-N-CA 121.135 -0.555 . . . . 25.0 113.11 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 tp -59.12 -35.29 56.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.206 0.527 . . . . 50.0 111.724 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.31 -38.0 78.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 121.581 -0.7 . . . . 50.0 111.259 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -73.04 -33.88 65.96 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.267 -0.973 . . . . 50.0 111.09 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.31 -23.1 30.41 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.79 1.033 . . . . 50.0 113.79 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 94.7 m -110.49 -19.0 13.09 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 115.048 1.499 . . . . 50.0 115.048 -177.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.0 t -106.57 -52.05 2.85 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.905 0.775 . . . . 50.0 110.721 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -78.69 -15.72 58.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.293 0.568 . . . . 50.0 110.765 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -140.69 168.61 19.39 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 105.386 -2.079 . . . . 50.0 105.386 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.7 p -90.17 150.52 21.98 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.7 p -139.78 167.97 20.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.195 0.521 . . . . 50.0 110.266 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -120.6 157.01 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.671 -1.603 . . . . 50.0 106.671 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.19 -31.94 61.8 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 113.408 0.892 . . . . 50.0 113.408 -178.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.67 96.03 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.168 0.509 . . . . 25.0 111.473 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -72.17 -39.57 68.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.807 0.813 . . . . 50.0 109.413 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.69 -43.25 94.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.08 -0.964 . . . . 50.0 109.921 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -56.48 -20.94 22.52 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 113.429 0.9 . . . . 50.0 113.429 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.7 p -68.27 -16.11 63.83 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.254 -0.903 . . . . 25.0 112.725 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -94.27 2.04 55.91 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.348 0.594 . . . . 50.0 111.059 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.52 162.51 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.864 -1.162 . . . . 50.0 107.864 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.18 -28.96 69.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 p -84.56 153.16 61.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 122.206 -0.309 . . . . 25.0 111.275 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -74.38 178.4 7.08 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 120.215 0.61 . . . . 50.0 112.812 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 68' ' ' SER . . . -60.7 134.08 56.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.815 -0.63 . . . . 25.0 110.517 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -84.27 31.57 0.51 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 173.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 66' ' ' ALA . 6.7 t 42.93 53.15 5.12 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 123.237 1.494 . . . . 25.0 112.186 -176.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 . . . . . 0 C--O 1.302 3.832 0 CA-C-O 113.081 -3.342 . . . . 25.0 111.204 -176.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 123.581 1.657 . . . . 25.0 114.339 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -79.27 141.8 36.73 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.152 -0.931 . . . . 50.0 111.007 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -78.01 155.73 79.94 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 107.613 -1.254 . . . . 50.0 107.613 174.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -57.16 -26.0 67.15 Favored 'Trans proline' 0 C--N 1.349 0.595 0 N-CA-C 116.771 1.797 . . . . 50.0 116.771 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -139.02 105.14 5.22 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.09 -15.01 7.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.896 -1.047 . . . . 50.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 p -81.58 150.81 27.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.65 100.26 8.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.905 0.86 . . . . 50.0 110.395 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -149.54 -166.03 2.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.236 -0.893 . . . . 50.0 110.033 -174.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.22 32.33 83.5 Favored Glycine 0 C--O 1.219 -0.813 0 N-CA-C 115.168 0.827 . . . . 25.0 115.168 171.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.85 -28.18 5.59 Favored Glycine 0 C--O 1.227 -0.318 0 C-N-CA 120.867 -0.683 . . . . 50.0 113.024 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -65.7 -23.87 66.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.917 0.858 . . . . 50.0 109.549 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.9 tp -59.51 -43.94 93.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.534 -0.303 . . . . 50.0 110.547 173.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.48 -40.89 85.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 108.769 -0.826 . . . . 50.0 108.769 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -57.57 -40.75 79.65 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.5 0.667 . . . . 50.0 109.831 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -69.78 -39.73 76.46 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 121.724 -0.61 . . . . 25.0 112.458 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.58 -38.64 90.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.988 -0.745 . . . . 50.0 108.988 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.33 -37.41 80.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 50.0 110.893 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -66.97 -47.87 70.24 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.91 -0.494 . . . . 50.0 112.101 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.65 -32.07 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 N-CA-C 112.406 0.521 . . . . 50.0 112.406 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -160.31 33.85 0.17 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.485 1.661 . . . . 50.0 115.485 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.09 -27.09 68.34 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.646 -0.788 . . . . 25.0 113.979 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -74.26 -18.54 60.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.944 0.402 . . . . 50.0 111.305 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -93.89 -25.83 17.15 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 120.99 0.424 . . . . 50.0 110.59 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.18 160.81 35.69 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 108.697 -1.761 . . . . 50.0 108.697 -171.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -155.78 166.81 32.38 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.35 -0.611 . . . . 50.0 109.35 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -130.86 160.97 32.86 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.43 -1.88 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.11 0.481 . . . . 50.0 111.387 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -137.12 155.63 49.36 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.969 -1.863 . . . . 50.0 105.969 175.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -62.54 -52.65 63.83 Favored Pre-proline 0 N--CA 1.471 0.61 0 C-N-CA 120.499 -0.48 . . . . 50.0 111.994 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.23 142.19 33.48 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 116.961 -1.559 . . . . 50.0 111.33 173.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.24 -24.64 10.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.832 -0.622 . . . . 25.0 110.362 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t 51.25 27.04 3.28 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.098 1.147 . . . . 50.0 114.098 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 57.96 22.57 8.93 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.706 1.002 . . . . 50.0 113.706 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.09 164.86 26.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 CA-C-O 122.187 0.994 . . . . 50.0 109.564 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.0 t -149.85 59.64 0.99 Allowed 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.961 -1.866 . . . . 50.0 105.961 172.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -131.0 145.24 51.99 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 105.391 -2.077 . . . . 50.0 105.391 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 60.87 27.04 16.88 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 124.553 1.158 . . . . 50.0 109.002 -168.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.4 p 64.09 150.68 0.11 Allowed Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 126.112 1.765 . . . . 25.0 114.114 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -66.79 150.54 83.33 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 116.644 -1.771 . . . . 50.0 110.533 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -69.43 167.13 17.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.966 0.889 . . . . 50.0 110.868 -176.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -74.74 161.35 29.71 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.173 -0.921 . . . . 50.0 109.842 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.61 -69.19 0.16 Allowed Glycine 0 C--O 1.226 -0.377 0 N-CA-C 110.466 -1.054 . . . . 25.0 110.466 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 HD13 ' HG ' ' A' ' 58' ' ' LEU . 4.4 tp -59.09 -41.25 82.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.883 0.373 . . . . 50.0 110.114 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.15 -32.94 59.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.95 0.405 . . . . 50.0 110.609 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.94 -33.54 65.99 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 119.557 -0.857 . . . . 50.0 110.425 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -83.53 -35.69 24.62 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 112.932 0.716 . . . . 50.0 112.932 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -101.59 -19.61 15.39 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 116.462 2.023 . . . . 50.0 116.462 -173.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.4 t -112.32 -45.29 3.28 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.252 0.478 . . . . 50.0 111.507 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -79.04 -15.37 58.32 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.958 0.409 . . . . 50.0 110.019 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -144.47 -179.62 6.67 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 104.117 -2.549 . . . . 50.0 104.117 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 m -96.94 153.02 18.15 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 175.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.3 p -143.72 164.94 29.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 50.0 110.764 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -103.62 156.83 17.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.534 -0.757 . . . . 50.0 109.572 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.85 -29.66 63.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.423 0.289 . . . . 50.0 111.633 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.72 -48.5 63.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 25.0 110.596 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.98 -40.03 87.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.777 0.798 . . . . 50.0 109.853 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HG ' HD13 ' A' ' 44' ' ' ILE . 3.0 tt -58.07 -44.85 87.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.037 -0.983 . . . . 50.0 110.035 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -60.89 -19.25 60.08 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.288 0.847 . . . . 50.0 113.288 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.9 p -69.57 -16.05 63.34 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.069 -1.019 . . . . 25.0 112.866 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -86.44 1.54 50.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.96 0.409 . . . . 50.0 112.047 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.3 m -74.62 162.19 28.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.876 -0.787 . . . . 50.0 108.876 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -18.68 64.42 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.026 0.441 . . . . 25.0 111.38 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 p -120.9 159.83 47.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -75.35 177.82 8.14 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 118.124 -0.784 . . . . 50.0 112.289 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.96 130.19 43.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.92 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -85.16 42.7 0.96 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.832 0.825 . . . . 50.0 110.763 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 m -122.29 65.68 0.93 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.294 -0.866 . . . . 25.0 111.23 -176.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 . . . . . 0 C--O 1.304 3.961 0 CA-C-O 115.632 -2.128 . . . . 25.0 113.731 -178.509 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 122.371 1.082 . . . . 25.0 113.748 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -68.67 145.84 53.52 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.309 -0.86 . . . . 50.0 111.896 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -90.44 154.61 46.46 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 107.042 -1.466 . . . . 50.0 107.042 174.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.77 -28.86 88.11 Favored 'Trans proline' 0 C--N 1.348 0.524 0 N-CA-C 113.852 0.674 . . . . 50.0 113.852 176.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m -142.05 102.69 4.18 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -84.21 -14.22 50.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.751 0.786 . . . . 50.0 109.544 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -116.87 157.63 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.66 98.87 12.02 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.35 1.072 . . . . 50.0 110.185 -174.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.41 -168.5 3.12 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.259 -1.337 . . . . 50.0 110.319 -172.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.33 28.86 73.99 Favored Glycine 0 C--O 1.219 -0.795 0 N-CA-C 114.975 0.75 . . . . 25.0 114.975 173.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.93 -27.4 6.7 Favored Glycine 0 C--O 1.225 -0.457 0 CA-C-O 119.348 -0.695 . . . . 50.0 113.235 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -64.78 -23.57 67.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.24 1.02 . . . . 50.0 109.408 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.03 -41.03 82.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.253 -0.431 . . . . 50.0 110.71 174.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.26 -40.14 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.179 -0.675 . . . . 50.0 109.179 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.61 -39.95 93.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.408 0.623 . . . . 50.0 109.516 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -65.74 -41.65 91.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.827 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.27 -36.93 81.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.491 0.662 . . . . 50.0 109.825 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -70.65 -33.45 70.98 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.066 -0.515 . . . . 50.0 111.196 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -73.86 -49.41 25.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.211 0.819 . . . . 50.0 113.211 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.36 -27.51 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 112.558 0.577 . . . . 50.0 112.558 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 m -130.85 -54.47 1.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.967 0.729 . . . . 50.0 112.967 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.58 -102.21 0.18 Allowed Glycine 0 CA--C 1.517 0.208 0 N-CA-C 115.877 1.111 . . . . 25.0 115.877 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.5 -13.6 62.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.827 0.451 . . . . 50.0 112.063 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -71.39 -15.5 62.37 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.551 -0.537 . . . . 50.0 109.551 174.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.14 157.1 13.67 Favored Glycine 0 C--O 1.226 -0.362 0 N-CA-C 110.113 -1.195 . . . . 50.0 110.113 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 51.3 p90 -160.12 160.62 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.679 0.739 . . . . 50.0 110.572 178.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -131.38 161.17 33.01 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.385 -0.968 . . . . 50.0 108.385 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.34 -50.75 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.486 -0.931 . . . . 50.0 108.486 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 p -82.12 152.96 26.29 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.038 -1.838 . . . . 50.0 106.038 172.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -50.18 89.39 Favored Pre-proline 0 CA--C 1.545 0.76 0 N-CA-C 113.476 0.917 . . . . 50.0 113.476 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -71.66 145.42 46.59 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 117.298 -1.335 . . . . 50.0 111.564 172.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.16 -26.83 67.61 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.359 0.503 . . . . 25.0 112.359 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t 61.89 -164.99 0.24 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.39 -0.823 . . . . 50.0 110.506 -175.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -145.78 54.0 1.17 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.944 0.878 . . . . 50.0 108.86 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.2 m -131.38 170.85 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 105.939 -1.875 . . . . 50.0 105.939 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -113.26 -154.91 0.55 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 105.875 -1.898 . . . . 50.0 105.875 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 59.73 -177.76 0.09 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.736 1.214 . . . . 50.0 111.34 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -124.57 49.23 1.84 Allowed 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.29 -1.004 . . . . 50.0 108.29 177.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -59.47 148.96 72.07 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.352 -0.84 . . . . 25.0 109.969 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.74 151.46 84.37 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 117.849 -0.967 . . . . 50.0 111.766 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -149.69 165.86 31.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.745 -0.465 . . . . 50.0 109.745 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -86.75 -168.38 2.22 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.386 -1.339 . . . . 50.0 107.386 176.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.05 -102.68 2.89 Favored Glycine 0 C--O 1.224 -0.522 0 CA-C-N 118.41 0.55 . . . . 25.0 112.154 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 tp -58.91 -32.04 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 117.339 0.57 . . . . 50.0 111.682 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.83 -36.09 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.542 0.687 . . . . 50.0 110.259 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.77 -38.17 70.37 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.723 -0.611 . . . . 50.0 110.418 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.45 -29.69 27.86 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.857 1.429 . . . . 50.0 114.857 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.6 m -109.45 -17.19 13.83 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.982 1.845 . . . . 50.0 115.982 -175.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.0 t -114.69 -44.07 3.1 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.43 0.53 . . . . 50.0 112.43 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -82.95 -15.92 49.41 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.97 0.891 . . . . 50.0 109.003 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -127.84 -159.71 0.96 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.291 -3.225 . . . . 50.0 102.291 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 t -136.76 150.92 48.66 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 104.748 -2.316 . . . . 25.0 104.748 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.5 p -136.84 163.44 30.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.098 0.475 . . . . 50.0 111.938 -172.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -99.68 160.58 14.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.577 -1.268 . . . . 50.0 107.577 174.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.65 -30.43 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.17 0.433 . . . . 50.0 112.17 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.13 91.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.157 0.504 . . . . 25.0 110.475 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.95 -41.7 77.66 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.133 -0.692 . . . . 50.0 109.133 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tt -58.89 -42.66 90.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.616 -0.72 . . . . 50.0 110.611 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -56.95 -24.08 50.24 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.861 0.689 . . . . 50.0 112.861 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 p -68.04 -16.33 63.98 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.237 -0.915 . . . . 25.0 113.219 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -89.74 1.95 55.46 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.108 0.48 . . . . 50.0 110.921 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 81.5 m -77.85 158.1 29.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 50.0 110.949 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.11 -28.47 62.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.198 -0.456 . . . . 25.0 112.225 -173.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.8 p -126.7 151.92 74.07 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -85.22 176.82 5.57 Favored 'Trans proline' 0 C--O 1.236 0.417 0 N-CA-C 114.076 0.76 . . . . 50.0 114.076 -175.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.06 100.87 3.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.828 -1.078 . . . . 25.0 108.344 174.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -80.32 75.99 7.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.758 0.313 . . . . 50.0 111.163 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.8 t -77.76 74.37 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.903 0.858 . . . . 25.0 110.613 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 C--O 1.297 3.56 0 CA-C-O 114.835 -2.507 . . . . 25.0 112.383 -179.107 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 123.114 1.435 . . . . 25.0 114.059 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -96.55 157.72 15.77 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.289 -0.869 . . . . 50.0 109.059 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 148.5 96.25 Favored Pre-proline 0 C--O 1.239 0.544 0 N-CA-C 109.704 -0.48 . . . . 50.0 109.704 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.34 -35.5 91.04 Favored 'Trans proline' 0 C--N 1.345 0.385 0 N-CA-C 114.511 0.927 . . . . 50.0 114.511 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 m -174.74 141.75 0.65 Allowed 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 101.291 -3.596 . . . . 25.0 101.291 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -88.6 -18.4 28.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.053 -0.976 . . . . 50.0 108.561 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 p -89.55 140.14 29.84 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.395 -1.706 . . . . 25.0 106.395 173.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.86 110.95 17.35 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.78 -1.192 . . . . 50.0 107.78 -176.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.85 -163.1 1.5 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.695 -0.684 . . . . 50.0 110.338 -170.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.49 29.28 72.99 Favored Glycine 0 C--O 1.218 -0.9 0 N-CA-C 115.23 0.852 . . . . 25.0 115.23 174.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.14 -28.3 6.24 Favored Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.923 -0.655 . . . . 50.0 112.739 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -63.86 -25.01 67.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.606 0.703 . . . . 50.0 109.492 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.41 -39.73 88.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.213 -0.449 . . . . 50.0 110.843 175.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.05 -40.56 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.524 -0.917 . . . . 50.0 108.524 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -37.92 87.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.477 0.656 . . . . 50.0 109.79 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -67.72 -40.45 84.26 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.547 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.68 -36.96 84.59 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.659 -0.497 . . . . 50.0 109.659 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -69.01 -37.95 78.95 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.468 -0.333 . . . . 50.0 110.822 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -68.24 -48.2 65.73 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.418 0.525 . . . . 50.0 112.418 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -74.13 -31.1 28.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 O-C-N 122.207 -0.308 . . . . 50.0 111.623 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.6 m -129.85 -56.14 1.13 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.597 1.332 . . . . 50.0 114.597 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.62 -106.51 0.6 Allowed Glycine 0 N--CA 1.462 0.385 0 N-CA-C 115.665 1.026 . . . . 25.0 115.665 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -59.13 -28.37 66.49 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.72 0.808 . . . . 50.0 112.54 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -64.06 -16.62 62.12 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.395 -0.366 . . . . 50.0 111.143 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.94 147.37 10.1 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.278 -1.129 . . . . 50.0 110.278 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 48.4 p90 -158.13 163.47 37.57 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.684 -0.858 . . . . 50.0 108.684 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -136.2 158.72 43.74 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.997 -0.742 . . . . 50.0 108.997 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.32 -12.0 59.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.89 -1.152 . . . . 50.0 107.89 174.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 m -103.39 151.5 22.7 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.503 -0.771 . . . . 50.0 111.459 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -60.87 -48.81 91.75 Favored Pre-proline 0 N--CA 1.474 0.742 0 N-CA-C 115.494 1.664 . . . . 50.0 115.494 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.71 125.71 13.64 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 117.246 -1.369 . . . . 50.0 114.131 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.51 3.55 49.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.337 -1.302 . . . . 25.0 113.809 -175.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -71.4 22.11 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 117.587 2.439 . . . . 50.0 117.587 -170.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 54.88 22.84 4.52 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.626 1.713 . . . . 50.0 115.626 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.13 125.38 66.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.874 0.845 . . . . 50.0 111.116 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 t -108.98 11.24 26.01 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.573 -0.74 . . . . 50.0 110.701 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -67.71 -12.31 60.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.884 0.698 . . . . 50.0 112.884 -176.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.79 12.35 7.47 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 113.414 0.894 . . . . 50.0 113.414 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.9 t 48.53 66.3 5.9 Favored Pre-proline 0 N--CA 1.476 0.837 0 CA-C-O 121.298 0.57 . . . . 25.0 112.271 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.21 159.84 48.71 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 117.458 -1.228 . . . . 50.0 112.589 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -144.47 168.28 20.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 105.448 -2.056 . . . . 50.0 105.448 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 49.41 -120.23 1.39 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.981 0.801 . . . . 50.0 113.082 172.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.97 -118.14 5.08 Favored Glycine 0 C--O 1.223 -0.556 0 C-N-CA 120.975 -0.631 . . . . 25.0 113.192 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 tp -51.18 -33.88 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.511 0.724 . . . . 50.0 112.112 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 m -68.92 -26.21 31.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 121.888 -0.507 . . . . 50.0 112.169 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.7 -33.97 73.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.182 -0.673 . . . . 50.0 109.182 -177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.65 -36.21 14.51 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 113.498 0.925 . . . . 50.0 113.498 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.7 m -108.71 -10.89 15.13 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 117.131 2.271 . . . . 50.0 117.131 -173.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.6 t -116.27 -46.97 2.77 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.393 0.997 . . . . 50.0 111.513 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -80.93 -15.15 57.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.136 -0.69 . . . . 50.0 109.136 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -136.3 168.65 19.03 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 106.03 -1.841 . . . . 50.0 106.03 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 p -92.04 154.01 19.04 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.3 p -145.88 160.86 41.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.552 0.691 . . . . 50.0 112.781 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -89.07 156.02 19.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.009 -0.996 . . . . 50.0 108.447 175.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.08 -29.65 68.71 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 120.627 0.251 . . . . 50.0 110.495 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.98 -42.45 80.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.049 0.452 . . . . 25.0 111.081 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.03 -42.8 75.88 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.825 -0.805 . . . . 50.0 108.825 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tt -57.84 -42.09 83.69 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.011 -0.995 . . . . 50.0 110.052 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -57.36 -24.27 54.26 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.523 0.934 . . . . 50.0 113.523 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.5 p -67.05 -19.52 65.69 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.389 -0.819 . . . . 25.0 113.16 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -79.67 0.33 30.74 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.415 0.626 . . . . 50.0 112.255 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 71.0 m -77.67 165.91 23.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.672 0.748 . . . . 50.0 111.131 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.23 -23.45 61.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -102.93 158.56 31.52 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 172.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.75 178.84 7.1 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 118.065 -0.823 . . . . 50.0 110.927 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.25 135.61 57.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.93 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -95.97 10.68 36.59 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.979 0.895 . . . . 50.0 110.579 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.74 43.96 0.71 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 122.342 1.068 . . . . 25.0 112.253 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.303 3.885 0 CA-C-O 115.854 -2.022 . . . . 25.0 114.382 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.795 0.331 . . . . 25.0 110.211 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -128.51 127.68 42.88 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 122.792 0.437 . . . . 25.0 110.243 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.2 m -132.51 -47.01 0.89 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 115.69 1.737 . . . . 25.0 115.69 -174.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.81 -132.95 7.55 Favored Glycine 0 C--O 1.229 -0.164 0 CA-C-O 121.622 0.568 . . . . 25.0 114.03 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.33 -26.6 70.74 Favored Glycine 0 C--O 1.219 -0.811 0 C-N-CA 121.016 -0.612 . . . . 25.0 111.717 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -66.37 -26.5 67.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.795 0.295 . . . . 25.0 111.795 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.7 tp -72.36 -42.6 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.0 t -64.18 -39.69 86.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.35 -45.36 93.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.055 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.8 m -62.68 -40.11 96.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.805 0.336 . . . . 25.0 111.676 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.74 -38.46 91.18 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.213 -0.305 . . . . 25.0 110.439 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -67.47 -40.46 85.31 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -63.83 -50.42 68.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.05 -30.24 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 121.109 0.481 . . . . 25.0 111.534 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -89.64 -33.98 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.27 -136.77 30.57 Favored Glycine 0 N--CA 1.433 -1.505 0 N-CA-C 105.164 -3.174 . . . . 25.0 105.164 -169.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -79.09 2.21 21.53 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.968 -1.116 . . . . 25.0 113.355 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 -72.25 -21.1 61.43 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 121.051 -1.031 . . . . 25.0 113.116 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.95 163.46 30.15 Favored Glycine 0 C--O 1.223 -0.536 0 C-N-CA 121.193 -0.527 . . . . 25.0 112.691 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -152.09 170.5 19.79 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.577 0.688 . . . . 25.0 111.284 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.93 143.88 51.1 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.77 -16.76 43.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.552 0.691 . . . . 25.0 109.612 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 115.415 -0.812 . . . . 25.0 108.913 179.602 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.796 0 N-CA-C 117.513 1.765 . . . . 25.0 117.513 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.0 tp -57.98 -34.8 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 114.232 1.197 . . . . 25.0 114.232 -169.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -64.41 -31.0 51.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.289 0.566 . . . . 25.0 110.734 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.26 -40.23 93.66 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.01 -0.431 . . . . 25.0 111.346 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -90.92 -29.69 17.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.3 m -102.29 -15.62 16.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 115.238 1.57 . . . . 25.0 115.238 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -115.8 -50.79 2.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.156 0.435 . . . . 25.0 111.803 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -76.97 -16.37 59.36 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.285 0.564 . . . . 25.0 109.822 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -135.5 -170.94 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 105.534 -2.024 . . . . 25.0 105.534 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.4 p -114.23 142.92 45.66 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -127.59 176.93 7.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.237 0.335 . . . . 25.0 110.282 -177.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -121.98 159.56 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -58.82 -31.46 68.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.92 89.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.283 0.563 . . . . 25.0 110.708 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.55 -39.01 77.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.625 0.726 . . . . 25.0 109.213 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.48 -43.18 97.25 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.484 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.21 -18.12 56.65 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.8 p -69.12 -16.31 63.63 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.082 -1.011 . . . . 25.0 112.14 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -90.96 -1.46 57.82 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.363 0.602 . . . . 25.0 110.849 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.75 158.7 34.14 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.02 -31.61 72.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.901 0.381 . . . . 25.0 111.007 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 107.867 -1.16 . . . . 25.0 107.867 176.066 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.8 mt -135.44 129.44 33.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.119 -0.946 . . . . 25.0 108.636 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -148.46 164.75 33.22 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.898 -0.321 . . . . 25.0 110.161 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.25 -144.35 45.37 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 121.035 -0.602 . . . . 25.0 112.395 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.46 -22.65 71.49 Favored Glycine 0 C--O 1.219 -0.791 0 C-N-CA 121.132 -0.556 . . . . 25.0 113.597 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.67 -37.55 86.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.645 0.723 . . . . 25.0 109.68 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.5 tp -66.8 -42.05 86.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.61 -43.86 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.98 -37.62 80.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.99 0.424 . . . . 25.0 110.628 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 m -70.67 -39.6 73.45 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.728 -0.389 . . . . 25.0 111.865 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.14 -37.75 86.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.49 0.662 . . . . 25.0 109.591 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -69.97 -33.18 71.75 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.281 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -74.11 -47.11 38.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.409 HG11 HD22 ' A' ' 58' ' ' LEU . 9.9 p -73.84 -25.97 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -174.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.4 m -137.18 -53.85 0.69 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.43 -100.2 0.09 OUTLIER Glycine 0 N--CA 1.464 0.527 0 N-CA-C 115.924 1.13 . . . . 25.0 115.924 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.82 -32.22 63.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.954 0.902 . . . . 25.0 112.048 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -72.56 -5.39 36.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 25.0 112.128 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.58 158.65 10.35 Favored Glycine 0 C--O 1.229 -0.192 0 CA-C-N 116.669 -0.241 . . . . 25.0 113.113 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -161.43 162.77 30.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.022 0.411 . . . . 25.0 111.165 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -130.61 151.77 50.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.33 -18.32 28.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.714 0.769 . . . . 25.0 111.017 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 -178.023 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 110.39 -1.084 . . . . 25.0 110.39 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 tp -55.16 -35.44 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.32 -39.45 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 O-C-N 121.482 -0.761 . . . . 25.0 111.183 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -66.94 -32.07 73.08 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.864 -0.522 . . . . 25.0 110.848 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -81.91 -40.32 22.52 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.25 -18.19 14.99 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 116.854 2.168 . . . . 25.0 116.854 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.6 t -109.64 -45.52 3.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.663 0.665 . . . . 25.0 111.398 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -76.09 -20.74 57.41 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.863 0.364 . . . . 25.0 110.337 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -145.21 178.41 8.09 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.5 p -88.24 152.94 21.61 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 123.483 0.49 . . . . 25.0 110.699 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.7 p -143.8 163.63 32.81 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.828 0.347 . . . . 25.0 111.595 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -109.18 157.86 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.586 -0.733 . . . . 25.0 109.296 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.52 -28.48 67.11 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.49 78.16 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.215 0.531 . . . . 25.0 110.083 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.07 -40.93 91.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.9 0.857 . . . . 25.0 109.076 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.409 HD22 HG11 ' A' ' 20' ' ' VAL . 1.4 tt -58.73 -43.37 90.17 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.961 -1.018 . . . . 25.0 110.897 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.59 -27.0 62.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.64 0.608 . . . . 25.0 112.64 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.9 p -67.77 -16.19 64.0 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.402 -0.811 . . . . 25.0 113.027 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -88.33 1.6 54.28 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.803 0.335 . . . . 25.0 111.686 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -73.38 161.79 30.05 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.3 -27.57 62.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.84 0.352 . . . . 25.0 110.958 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.5 p . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.474 -0.33 . . . . 25.0 111.589 179.509 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.22 113.37 26.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.297 0.57 . . . . 25.0 111.827 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 -56.78 1.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 -174.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.85 -137.39 8.11 Favored Glycine 0 C--O 1.221 -0.689 0 CA-C-N 116.281 -0.418 . . . . 25.0 113.837 -174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.29 -22.31 58.29 Favored Glycine 0 C--O 1.224 -0.5 0 C-N-CA 121.251 -0.5 . . . . 25.0 113.183 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -60.86 -37.67 82.91 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 121.015 0.436 . . . . 25.0 110.547 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.2 tp -67.54 -41.19 84.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.138 0.494 . . . . 25.0 109.974 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.88 -39.28 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.66 -41.7 97.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.379 -0.2 . . . . 25.0 110.742 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.5 m -66.33 -42.01 88.8 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 122.077 -0.39 . . . . 25.0 111.884 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' A' ' 58' ' ' LEU . 3.8 mt -60.79 -38.65 86.05 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.72 -0.612 . . . . 25.0 109.809 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.54 -32.99 73.32 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 116.331 -0.395 . . . . 25.0 111.475 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -72.19 -42.72 65.52 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.713 -0.617 . . . . 25.0 111.473 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.7 -38.48 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.1 m -124.75 -8.38 7.31 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 116.698 2.11 . . . . 25.0 116.698 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.19 168.88 41.92 Favored Glycine 0 C--N 1.32 -0.342 0 CA-C-O 121.985 0.769 . . . . 25.0 111.448 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -79.4 15.12 1.33 Allowed 'General case' 0 N--CA 1.472 0.64 0 O-C-N 122.114 -0.639 . . . . 25.0 111.692 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -69.57 -18.65 63.66 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.059 0.762 . . . . 25.0 113.059 -174.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.14 149.28 5.48 Favored Glycine 0 CA--C 1.51 -0.256 0 C-N-CA 121.449 -0.405 . . . . 25.0 112.703 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -160.7 159.54 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.638 -1.616 . . . . 25.0 106.638 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -117.0 142.48 46.9 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -93.65 2.42 56.33 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.529 0.681 . . . . 25.0 112.01 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 p . . . . . 0 C--N 1.323 -0.579 0 N-CA-C 104.149 -2.538 . . . . 25.0 104.149 176.361 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 120.349 -0.139 . . . . 25.0 113.141 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -58.07 -36.93 58.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 116.927 0.363 . . . . 25.0 110.925 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.07 -35.28 67.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 O-C-N 121.456 -0.777 . . . . 25.0 110.146 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.15 -39.72 86.57 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.462 -0.774 . . . . 25.0 110.53 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -84.65 -26.65 27.68 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.1 m -103.63 -12.48 17.02 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 116.247 1.943 . . . . 25.0 116.247 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.2 t -118.01 -46.05 2.64 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.46 0.541 . . . . 25.0 112.46 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -83.4 -11.46 57.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.82 -0.807 . . . . 25.0 108.82 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -138.69 171.16 14.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 103.733 -2.691 . . . . 25.0 103.733 171.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.5 p -93.72 149.9 20.85 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.676 -1.601 . . . . 25.0 106.676 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.6 p -137.74 166.47 23.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.054 0.454 . . . . 25.0 110.392 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -112.06 167.41 10.42 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.57 -26.56 68.03 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.42 -45.61 53.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.421 0.555 . . . . 25.0 110.14 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.37 -46.06 91.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.908 0.861 . . . . 25.0 108.991 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 17' ' ' LEU . 5.2 tt -57.11 -44.25 83.07 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.99 -1.004 . . . . 25.0 111.807 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -55.68 -28.14 54.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.062 -0.517 . . . . 25.0 112.166 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.4 p -65.3 -16.3 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.95 -3.85 56.96 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.026 0.38 . . . . 25.0 112.026 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.3 m -73.18 146.98 45.18 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.92 -25.08 61.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 -173.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.323 -0.584 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 176.0 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 107.186 -1.413 . . . . 25.0 107.186 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.3 mt -129.62 119.6 23.85 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.905 0.882 . . . . 25.0 108.675 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.2 m -112.98 -164.89 0.95 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.832 -0.622 . . . . 25.0 111.205 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.46 138.17 23.96 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 121.047 -0.597 . . . . 25.0 114.18 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.27 -69.2 3.04 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-O 119.919 -0.379 . . . . 25.0 112.659 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -64.81 -33.62 76.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.687 0.743 . . . . 25.0 111.715 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.3 tp -65.86 -39.42 90.7 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.6 -41.04 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -63.91 -38.96 93.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.25 0.548 . . . . 25.0 110.052 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -64.69 -43.11 94.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.345 -0.389 . . . . 25.0 110.956 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.68 -37.32 83.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.898 -0.501 . . . . 25.0 110.256 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -67.77 -39.51 84.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.618 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.11 -44.3 80.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.236 0.458 . . . . 25.0 112.236 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -73.18 -42.78 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 122.048 -0.407 . . . . 25.0 111.839 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -150.3 29.91 0.7 Allowed 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 115.551 1.686 . . . . 25.0 115.551 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.43 -27.92 66.52 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 120.861 -0.685 . . . . 25.0 112.935 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.24 -37.91 73.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.516 0.674 . . . . 25.0 111.719 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.86 -21.63 17.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.526 -0.761 . . . . 25.0 112.81 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.77 166.0 40.63 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 109.79 -1.324 . . . . 25.0 109.79 -174.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -152.74 166.19 32.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.284 -0.539 . . . . 25.0 111.46 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -118.94 160.84 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.6 5.62 51.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 25.0 110.813 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.216 -0.69 0 N-CA-C 104.29 -2.485 . . . . 25.0 104.29 176.404 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 111.567 -0.613 . . . . 25.0 111.567 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 tp -55.38 -35.14 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.694 0.798 . . . . 25.0 110.24 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.7 p -61.44 -32.09 52.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.227 0.454 . . . . 25.0 112.227 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -72.94 -38.19 66.88 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.522 -1.271 . . . . 25.0 110.237 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -28.46 54.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.005 0.372 . . . . 25.0 112.005 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.4 m -102.17 -27.84 12.66 Favored 'General case' 0 C--O 1.208 -1.092 0 N-CA-C 116.262 1.949 . . . . 25.0 116.262 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.7 t -106.77 -39.03 5.92 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.512 1.051 . . . . 25.0 111.659 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -89.16 -9.07 52.3 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.873 0.844 . . . . 25.0 110.053 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -139.51 -165.32 1.84 Allowed 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 102.764 -3.051 . . . . 25.0 102.764 171.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 p -120.71 153.76 36.52 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.8 p -143.1 165.81 26.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.258 0.551 . . . . 25.0 112.332 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -117.01 162.77 17.26 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.11 -30.44 68.11 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 111.92 0.341 . . . . 25.0 111.92 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.69 93.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.4 0.619 . . . . 25.0 110.808 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.97 -42.2 70.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.434 ' C ' HD23 ' A' ' 58' ' ' LEU . 5.1 tt -58.7 -43.59 90.07 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.728 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -55.57 -26.29 42.74 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.605 0.717 . . . . 25.0 112.005 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 p -68.77 -16.14 63.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.88 1.067 . . . . 25.0 113.88 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -91.99 -1.04 57.46 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.99 0.516 . . . . 25.0 111.148 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.1 m -74.83 167.7 21.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.941 -0.475 . . . . 25.0 110.654 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -13.94 62.16 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.137 0.494 . . . . 25.0 111.03 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.323 -0.579 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 178.268 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.213 0.53 . . . . 25.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.2 mt -109.39 119.61 39.99 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.065 -0.516 . . . . 25.0 112.045 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.35 164.22 30.83 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.63 -145.44 47.47 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.955 -0.641 . . . . 25.0 113.115 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.66 -22.05 71.41 Favored Glycine 0 C--O 1.22 -0.73 0 C-N-CA 121.162 -0.542 . . . . 25.0 113.856 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.58 -36.63 83.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.952 0.876 . . . . 25.0 109.973 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.93 -42.06 90.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.39 -44.16 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.18 -37.83 78.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.168 0.509 . . . . 25.0 110.781 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.5 m -68.62 -42.36 78.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.987 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' HA ' HD21 ' A' ' 58' ' ' LEU . 3.3 mt -61.7 -38.84 89.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.912 -0.492 . . . . 25.0 110.531 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -67.3 -35.1 78.76 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.796 -0.638 . . . . 25.0 110.733 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -73.97 -47.99 33.51 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.129 0.789 . . . . 25.0 113.129 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.0 -41.61 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.448 0.536 . . . . 25.0 112.448 -173.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 t -105.44 -26.62 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.954 1.094 . . . . 25.0 113.954 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.85 -173.6 35.11 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 109.096 -1.601 . . . . 25.0 109.096 -174.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.71 15.09 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 116.317 1.969 . . . . 25.0 116.317 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -13.48 62.28 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.118 -0.988 . . . . 25.0 112.388 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.69 159.67 34.57 Favored Glycine 0 C--O 1.225 -0.437 0 N-CA-C 110.247 -1.141 . . . . 25.0 110.247 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -156.98 164.15 38.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.46 147.33 49.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -82.27 -12.85 57.79 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.922 -0.487 . . . . 25.0 111.708 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.212 -0.874 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 174.218 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 107.167 -2.373 . . . . 25.0 107.167 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -54.84 -34.05 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -175.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -70.05 -42.29 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 O-C-N 120.987 -1.07 . . . . 25.0 110.058 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.43 -34.11 77.22 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.362 -0.836 . . . . 25.0 110.525 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.38 -37.83 51.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 114.1 1.148 . . . . 25.0 114.1 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.9 m -108.51 -11.36 15.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 116.585 2.068 . . . . 25.0 116.585 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 t -113.78 -48.2 2.93 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.028 0.376 . . . . 25.0 111.268 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -77.61 -13.36 59.93 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.346 0.593 . . . . 25.0 109.871 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -144.84 173.75 11.59 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 104.851 -2.278 . . . . 25.0 104.851 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.8 t -93.05 153.41 18.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 106.946 -1.501 . . . . 25.0 106.946 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.2 p -141.68 166.65 24.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.384 -0.599 . . . . 25.0 109.384 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -111.01 162.09 15.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.31 -27.81 68.76 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.94 60.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.238 0.542 . . . . 25.0 109.797 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.99 -42.16 98.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.47 0.652 . . . . 25.0 109.78 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 17' ' ' LEU . 5.7 tt -60.56 -44.45 96.13 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.461 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -58.65 -24.36 61.02 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.767 0.655 . . . . 25.0 112.767 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 p -64.0 -16.19 61.05 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -90.67 0.59 57.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.825 0.345 . . . . 25.0 110.759 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.5 t -74.68 150.78 39.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.78 69.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.511 0.56 . . . . 25.0 112.511 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 178.721 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 p . . . . . 0 CA--C 1.516 -0.337 0 N-CA-C 106.644 -1.613 . . . . 25.0 106.644 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.1 tp -127.21 111.74 14.31 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.76 147.17 32.62 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 114.406 1.261 . . . . 25.0 114.406 -172.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 -140.86 21.31 Favored Glycine 0 C--O 1.226 -0.394 0 C-N-CA 120.258 -0.972 . . . . 25.0 112.138 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.62 -32.97 85.97 Favored Glycine 0 C--O 1.221 -0.699 0 C-N-CA 120.95 -0.643 . . . . 25.0 114.653 -175.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -66.84 -30.13 70.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.616 0.708 . . . . 25.0 110.798 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -68.28 -41.1 81.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.44 -40.61 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.55 -43.05 99.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 m -63.81 -39.91 95.36 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.33 -39.26 92.47 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -68.45 -38.64 81.32 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.251 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -68.3 -48.95 63.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.89 -29.26 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -172.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.9 m -118.71 -14.93 9.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.454 1.65 . . . . 25.0 115.454 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' C ' ' H ' ' A' ' 24' ' ' ARG . . . 89.17 174.42 46.44 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 107.843 -2.103 . . . . 25.0 107.843 -172.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -70.69 15.22 0.1 Allowed 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 122.316 1.055 . . . . 25.0 112.61 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 22' ' ' GLY . 23.5 mmm180 -71.61 -1.99 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.157 -0.965 . . . . 25.0 112.029 -174.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.16 146.18 12.81 Favored Glycine 0 N--CA 1.453 -0.181 0 CA-C-O 121.468 0.482 . . . . 25.0 113.56 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.68 166.81 32.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -130.18 157.74 41.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.23 5.25 52.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.262 0.553 . . . . 25.0 110.063 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -178.39 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.988 0 CA-C-O 119.915 -0.38 . . . . 25.0 113.088 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 tp -49.89 -36.07 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.881 0.848 . . . . 25.0 112.935 -175.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.92 -26.29 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.883 -0.599 . . . . 25.0 111.799 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.04 -34.82 78.53 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 121.467 -0.771 . . . . 25.0 110.388 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -91.66 -38.59 12.34 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.9 m -98.34 -14.75 20.03 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 117.038 2.236 . . . . 25.0 117.038 -172.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.6 t -119.12 -45.51 2.55 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.295 0.498 . . . . 25.0 112.191 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -77.55 -17.69 57.65 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -140.04 -174.77 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.228 -2.508 . . . . 25.0 104.228 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.4 p -108.6 153.47 23.35 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 171.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p -138.19 164.09 30.07 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 -174.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.72 152.65 21.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -64.04 -27.49 69.15 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.436 0.636 . . . . 25.0 109.68 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.28 82.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.413 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.89 -44.64 80.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.43 -43.15 79.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.906 -1.043 . . . . 25.0 110.977 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.67 -26.37 44.34 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -65.52 -16.38 63.62 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.87 1.063 . . . . 25.0 113.87 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -85.42 -2.11 57.76 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.0 m -75.83 161.37 29.06 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.966 -0.459 . . . . 25.0 112.108 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.28 -26.4 58.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.722 -0.672 . . . . 25.0 110.294 178.245 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.6 p . . . . . 0 C--O 1.234 0.266 0 N-CA-C 109.665 -0.495 . . . . 25.0 109.665 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -124.96 121.55 34.76 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.87 -34.33 1.01 Allowed 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.401 1.63 . . . . 25.0 115.401 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.22 -146.73 12.41 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 121.234 -0.507 . . . . 25.0 112.849 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.77 -18.36 63.97 Favored Glycine 0 C--O 1.218 -0.892 0 CA-C-O 122.068 0.816 . . . . 25.0 111.245 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -58.53 -29.92 66.68 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.098 0.959 . . . . 25.0 112.03 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -73.22 -41.08 64.17 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.29 -39.59 85.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -62.13 -45.0 95.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 25.0 110.32 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -61.75 -41.4 97.63 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.104 -0.373 . . . . 25.0 111.949 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.75 -37.86 88.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.123 -0.361 . . . . 25.0 110.899 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -67.96 -41.35 82.55 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -65.77 -47.32 75.58 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 58' ' ' LEU . 7.5 p -69.98 -28.88 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -174.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.1 m -120.78 -18.93 7.52 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 117.411 2.374 . . . . 25.0 117.411 -175.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.01 -134.1 52.49 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-O 123.487 1.604 . . . . 25.0 112.826 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.99 -16.37 29.94 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 111.925 -2.137 . . . . 25.0 114.257 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -63.86 -23.85 67.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.486 0.55 . . . . 25.0 112.486 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.34 169.29 31.95 Favored Glycine 0 C--O 1.229 -0.183 0 N-CA-C 111.823 -0.511 . . . . 25.0 111.823 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 44.0 p90 -157.21 167.88 29.05 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.175 -0.603 . . . . 25.0 112.45 -177.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -129.64 158.18 40.04 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -88.86 -15.61 34.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 p . . . . . 0 C--O 1.217 -0.64 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 178.425 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.815 0 N-CA-C 110.882 -0.887 . . . . 25.0 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.3 tp -46.45 -37.87 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.572 1.323 . . . . 25.0 114.572 -176.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 m -65.81 -26.26 38.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 CA-C-N 116.256 -0.429 . . . . 25.0 112.04 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -67.78 -35.63 79.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.166 -0.959 . . . . 25.0 110.899 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -92.53 -29.57 16.13 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 120.222 -0.591 . . . . 25.0 112.188 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.2 m -101.6 -14.13 17.56 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 116.42 2.008 . . . . 25.0 116.42 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.4 t -117.66 -52.72 2.44 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.584 0.629 . . . . 25.0 111.693 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -72.71 -23.07 60.81 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -130.86 -175.77 3.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 105.274 -2.121 . . . . 25.0 105.274 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.9 p -107.9 153.13 23.48 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 105.373 -2.084 . . . . 25.0 105.373 170.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -134.82 159.33 41.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.213 0.53 . . . . 25.0 112.073 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.75 152.56 21.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.86 -27.66 68.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.991 0.424 . . . . 25.0 110.81 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.09 90.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.337 0.589 . . . . 25.0 111.001 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.31 -43.73 73.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 20' ' ' VAL . 1.5 tt -57.31 -42.52 81.97 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.667 -1.151 . . . . 25.0 111.024 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -55.3 -25.64 35.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.7 p -67.14 -21.05 65.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.342 -0.849 . . . . 25.0 112.943 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -81.06 -7.51 59.57 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.191 0.52 . . . . 25.0 111.849 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 72.9 m -70.2 153.11 43.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.477 0.656 . . . . 25.0 111.279 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.32 -29.47 69.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.415 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.8 p . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 172.577 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -135.54 130.93 35.35 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 -178.02 3.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.831 0.348 . . . . 25.0 111.271 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.85 92.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 118.66 2.224 . . . . 25.0 118.66 -171.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.26 -64.34 0.5 Allowed Glycine 0 C--O 1.222 -0.613 0 N-CA-C 109.14 -1.584 . . . . 25.0 109.14 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -67.18 -30.3 70.22 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 122.044 -0.68 . . . . 25.0 109.782 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.06 -35.33 80.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.104 -0.498 . . . . 25.0 111.372 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.97 -40.91 87.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.21 -43.49 98.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -63.22 -40.6 97.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.93 -39.97 95.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.356 . . . . 25.0 111.285 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -66.14 -41.91 89.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -68.41 -45.33 72.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.59 -23.96 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 -172.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.9 t -119.94 -43.78 2.54 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 115.581 1.697 . . . . 25.0 115.581 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.79 -156.9 15.72 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-O 122.962 1.312 . . . . 25.0 112.675 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -79.26 -2.59 41.95 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.544 -1.328 . . . . 25.0 113.704 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -70.12 -4.61 22.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 114.835 1.42 . . . . 25.0 114.835 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.93 157.8 28.18 Favored Glycine 0 C--O 1.22 -0.744 0 N-CA-C 111.739 -0.544 . . . . 25.0 111.739 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -154.27 168.07 27.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 -176.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -119.76 155.9 31.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.1 7.08 47.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.934 0.873 . . . . 25.0 109.534 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' HA3' ' A' ' 43' ' ' GLY . 31.3 p . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 106.97 -1.493 . . . . 25.0 106.97 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 29' ' ' SER . . . . . . . . 0 C--O 1.224 -0.471 0 CA-C-O 119.907 -0.385 . . . . 25.0 112.4 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 tp -55.11 -36.29 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 121.118 0.485 . . . . 25.0 111.399 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -70.39 -26.1 28.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 O-C-N 121.635 -0.666 . . . . 25.0 112.081 -176.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -72.16 -34.02 68.17 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.156 -0.965 . . . . 25.0 109.164 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -89.23 -32.09 17.58 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.859 -0.609 . . . . 25.0 112.267 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.6 m -108.78 -11.69 15.01 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 117.56 2.43 . . . . 25.0 117.56 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -114.35 -52.78 2.7 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.174 0.897 . . . . 25.0 110.674 176.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -72.76 -27.01 61.76 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -123.1 172.07 8.83 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 105.296 -2.112 . . . . 25.0 105.296 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 p -96.55 146.43 24.82 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 105.508 -2.034 . . . . 25.0 105.508 168.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -128.91 162.69 26.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 118.062 0.392 . . . . 25.0 110.776 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -89.88 152.0 21.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.371 -1.714 . . . . 25.0 106.371 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.53 -28.39 69.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.072 0.463 . . . . 25.0 109.948 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.78 -46.08 86.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.986 -0.552 . . . . 25.0 109.989 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.87 -43.23 84.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.66 0.743 . . . . 25.0 109.828 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.48 -44.15 84.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.33 -0.85 . . . . 25.0 111.607 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.97 -30.56 59.33 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 112.894 0.702 . . . . 25.0 112.894 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.4 p -63.67 -19.1 64.63 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.958 1.096 . . . . 25.0 113.958 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -76.07 -5.98 48.99 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 t -67.88 147.94 51.83 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.28 77.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.225 0.536 . . . . 25.0 111.623 -175.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 104.785 -2.302 . . . . 25.0 104.785 174.638 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.5 mt -122.36 125.96 47.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.112 -0.494 . . . . 25.0 110.006 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.64 165.9 26.13 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.669 -0.493 . . . . 25.0 109.669 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.16 -144.78 44.86 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.063 -0.589 . . . . 25.0 113.198 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.88 71.75 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 121.097 -0.573 . . . . 25.0 113.354 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -64.55 -38.35 90.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.705 0.753 . . . . 25.0 109.905 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 tp -66.2 -43.18 87.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.821 -0.627 . . . . 25.0 109.428 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.02 -42.92 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.249 -0.278 . . . . 25.0 110.249 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -60.56 -35.68 76.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.765 0.317 . . . . 25.0 110.235 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.2 m -72.98 -39.6 65.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.599 -0.44 . . . . 25.0 111.118 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.71 -38.17 89.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.041 0.448 . . . . 25.0 109.968 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -67.77 -39.1 84.15 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.246 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -65.49 -47.33 76.41 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.02 -25.98 26.69 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 88.3 m -103.8 -22.91 13.46 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 116.529 2.048 . . . . 25.0 116.529 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.46 -139.3 47.17 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-O 123.711 1.728 . . . . 25.0 111.341 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.89 -7.95 25.61 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 112.193 -2.004 . . . . 25.0 115.436 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -94.05 -9.55 36.38 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.186 1.55 . . . . 25.0 115.186 -174.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.51 178.24 51.88 Favored Glycine 0 C--N 1.322 -0.246 0 CA-C-O 122.305 0.947 . . . . 25.0 114.883 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -152.63 168.89 24.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.915 -0.643 . . . . 25.0 110.038 -174.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -127.12 133.6 50.36 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.979 -0.749 . . . . 25.0 108.979 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.95 -15.12 63.47 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.803 -0.561 . . . . 25.0 111.926 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.467 0.405 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -178.795 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.349 0 N-CA-C 109.91 -1.276 . . . . 25.0 109.91 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 tp -58.11 -37.39 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.387 0.514 . . . . 25.0 112.387 -174.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.5 -35.29 74.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.747 -0.596 . . . . 25.0 111.02 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -73.04 -33.89 65.98 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 118.754 -1.179 . . . . 25.0 110.974 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.95 -28.46 22.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 87.7 m -107.15 -14.7 14.85 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 116.504 2.039 . . . . 25.0 116.504 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.4 t -112.57 -50.69 2.88 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.05 0.841 . . . . 25.0 111.402 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -74.08 -15.46 61.06 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.081 0.467 . . . . 25.0 110.51 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -142.44 166.09 25.61 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 104.111 -2.552 . . . . 25.0 104.111 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 p -84.33 152.93 23.8 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.4 p -137.67 -178.81 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -128.75 160.33 32.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.17 -30.9 62.87 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.58 91.34 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.248 0.547 . . . . 25.0 111.253 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.36 -40.82 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 25.0 109.208 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.58 -42.3 96.39 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.297 -0.865 . . . . 25.0 110.858 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -58.13 -22.14 49.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.145 0.795 . . . . 25.0 113.145 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.3 p -68.21 -16.38 63.95 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.239 -0.913 . . . . 25.0 112.512 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -87.54 -6.39 58.36 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.696 0.398 . . . . 25.0 111.748 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.1 154.14 38.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.201 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.99 -36.62 78.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.37 . . . . 25.0 111.031 -177.072 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 CA--C 1.517 -0.326 0 N-CA-C 109.089 -0.708 . . . . 25.0 109.089 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -129.32 125.03 35.82 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -127.31 -168.98 1.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.634 -0.506 . . . . 25.0 109.634 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.81 134.52 1.98 Allowed Glycine 0 CA--C 1.521 0.427 0 N-CA-C 115.747 1.059 . . . . 25.0 115.747 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.48 -69.09 3.43 Favored Glycine 0 C--O 1.226 -0.39 0 O-C-N 122.645 -0.327 . . . . 25.0 112.451 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -62.73 -39.56 94.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.365 0.603 . . . . 25.0 111.863 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.4 tp -63.73 -41.6 98.02 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.034 -0.53 . . . . 25.0 109.809 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.0 -42.82 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.36 -34.57 75.53 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 120.963 0.411 . . . . 25.0 110.449 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 m -73.75 -40.16 63.69 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.034 -0.416 . . . . 25.0 111.506 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.65 -39.43 93.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -66.89 -36.48 82.37 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.593 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -67.94 -50.23 57.13 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.9 -27.87 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 122.114 -0.366 . . . . 25.0 111.952 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.7 m -97.48 -22.43 16.57 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.908 1.077 . . . . 25.0 113.908 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.77 -136.15 41.27 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 108.68 -1.768 . . . . 25.0 108.68 -172.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.79 7.66 4.49 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 112.66 -1.77 . . . . 25.0 113.784 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -93.89 -13.59 27.0 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.34 1.978 . . . . 25.0 116.34 -174.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.67 173.46 45.09 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.449 -0.881 . . . . 25.0 113.832 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -160.34 171.89 18.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -125.64 152.27 45.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.925 -0.768 . . . . 25.0 108.925 177.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.38 -12.1 41.34 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.117 0.484 . . . . 25.0 110.783 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 p . . . . . 0 CA--C 1.513 -0.476 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 178.896 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.281 0 N-CA-C 112.772 -0.131 . . . . 25.0 112.772 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.7 tp -59.75 -37.7 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 122.343 -0.504 . . . . 25.0 111.032 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.98 -33.61 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 121.842 -0.536 . . . . 25.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -73.04 -33.89 65.97 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.633 0.73 . . . . 25.0 109.463 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HG2' HD21 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -78.63 -38.64 39.23 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.949 179.02 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.7 m -104.88 -19.72 13.79 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 117.313 2.338 . . . . 25.0 117.313 -172.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.3 t -104.89 -50.03 3.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.642 1.11 . . . . 25.0 110.991 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -73.94 -21.91 59.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.088 0.47 . . . . 25.0 110.434 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -138.7 171.8 13.81 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 105.865 -1.902 . . . . 25.0 105.865 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -88.52 155.07 19.86 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.2 p -143.92 161.82 37.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -101.59 156.7 17.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.63 -30.41 68.69 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.638 0.256 . . . . 25.0 111.355 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -46.65 76.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.298 0.571 . . . . 25.0 110.133 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.525 HD21 ' HG2' ' A' ' 47' ' ' GLU . 6.9 tt -66.35 -40.18 89.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.14 -43.74 95.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.291 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.06 -21.17 58.73 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 p -67.56 -16.22 64.07 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.251 -0.906 . . . . 25.0 112.621 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -92.13 1.82 56.97 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.864 0.364 . . . . 25.0 111.414 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -74.37 157.11 36.27 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.89 73.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.716 0.293 . . . . 25.0 111.709 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.327 -0.379 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.9 p . . . . . 0 C--O 1.232 0.16 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -128.76 128.2 43.52 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.98 164.85 31.63 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.35 -144.78 48.78 Favored Glycine 0 CA--C 1.516 0.117 0 C-N-CA 120.621 -0.799 . . . . 25.0 112.319 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.12 -23.58 73.06 Favored Glycine 0 C--O 1.217 -0.91 0 C-N-CA 121.112 -0.566 . . . . 25.0 113.739 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -65.77 -33.94 77.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.968 0.884 . . . . 25.0 110.422 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.1 tp -67.73 -41.42 83.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.01 -42.08 94.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -58.57 -43.23 89.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.291 0.567 . . . . 25.0 110.278 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -65.92 -40.34 91.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.978 -0.451 . . . . 25.0 111.878 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.12 -38.81 92.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.128 0.49 . . . . 25.0 109.745 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -68.82 -37.53 79.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.669 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -66.55 -49.12 67.5 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.56 -34.46 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 112.424 0.527 . . . . 25.0 112.424 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -158.9 29.95 0.22 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 115.555 1.687 . . . . 25.0 115.555 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.59 -33.49 77.3 Favored Glycine 0 C--O 1.224 -0.483 0 C-N-CA 120.732 -0.747 . . . . 25.0 113.805 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.18 -35.67 73.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.439 0.638 . . . . 25.0 111.593 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -93.99 -9.6 36.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.894 -0.594 . . . . 25.0 111.744 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.42 160.35 27.49 Favored Glycine 0 C--N 1.321 -0.264 0 N-CA-C 111.705 -0.558 . . . . 25.0 111.705 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -152.24 163.25 39.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.203 -0.587 . . . . 25.0 110.046 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -131.5 132.22 44.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.238 0.542 . . . . 25.0 109.694 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -15.36 62.93 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 C--N 1.327 -0.402 0 N-CA-C 112.411 0.523 . . . . 25.0 112.411 -179.779 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 N-CA-C 109.431 -1.468 . . . . 25.0 109.431 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.13 -32.33 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.501 0.72 . . . . 25.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.0 t -62.88 -33.48 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.273 -0.421 . . . . 25.0 111.54 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -36.74 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.66 -0.65 . . . . 25.0 111.72 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.52 -26.92 16.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.01 0.745 . . . . 25.0 113.01 -175.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.0 m -103.13 -16.5 15.73 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 115.645 1.72 . . . . 25.0 115.645 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.3 t -116.36 -49.19 2.68 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.957 0.799 . . . . 25.0 111.799 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -77.76 -12.72 60.0 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.508 0.671 . . . . 25.0 110.021 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -140.12 -175.3 4.19 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.3 p -109.05 147.01 33.04 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.51 165.1 26.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 25.0 110.444 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -111.8 162.88 14.79 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.5 -27.33 67.52 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.84 61.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.306 0.574 . . . . 25.0 110.289 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.98 -38.69 91.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.708 0.765 . . . . 25.0 109.127 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.14 -43.67 98.33 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.299 -0.864 . . . . 25.0 110.471 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -57.69 -23.82 53.57 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.366 0.603 . . . . 25.0 112.43 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.1 p -67.91 -16.43 64.07 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.052 -1.03 . . . . 25.0 113.148 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -85.73 -5.96 59.19 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.692 0.282 . . . . 25.0 111.513 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.87 161.72 30.51 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.57 75.88 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.477 0.656 . . . . 25.0 110.52 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 176.967 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 CA--C 1.516 -0.358 0 N-CA-C 107.52 -1.289 . . . . 25.0 107.52 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -137.99 123.52 19.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.36 113.39 8.31 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.871 0.693 . . . . 25.0 112.871 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.37 -142.66 16.32 Favored Glycine 0 C--O 1.227 -0.32 0 C-N-CA 121.136 -0.554 . . . . 25.0 112.611 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.78 -27.48 72.75 Favored Glycine 0 C--O 1.219 -0.819 0 C-N-CA 120.963 -0.637 . . . . 25.0 112.498 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.33 -29.49 70.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.22 0.533 . . . . 25.0 111.156 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 tp -70.29 -40.43 74.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.99 -41.34 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.561 -0.533 . . . . 25.0 109.561 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.79 -48.66 80.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.183 0.516 . . . . 25.0 109.836 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -59.62 -41.69 90.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.262 -0.427 . . . . 25.0 111.665 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.77 -40.62 97.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.396 0.141 . . . . 25.0 111.06 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -66.54 -40.89 89.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.81 -52.69 48.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.262 0.838 . . . . 25.0 113.262 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.513 HG11 HD22 ' A' ' 58' ' ' LEU . 9.2 p -69.95 -30.11 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -174.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 t -97.6 -47.41 5.65 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.577 0.954 . . . . 25.0 113.577 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.32 174.97 37.44 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.743 -1.343 . . . . 25.0 109.743 -173.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.35 8.89 0.13 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 117.608 2.447 . . . . 25.0 117.608 -173.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -8.47 57.46 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.281 -0.887 . . . . 25.0 110.633 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.73 168.55 44.62 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-O 121.566 0.536 . . . . 25.0 113.028 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -154.42 164.76 38.14 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -114.18 140.21 48.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.1 -5.53 59.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.054 0.454 . . . . 25.0 111.217 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' HA3' ' A' ' 43' ' ' GLY . 57.1 m . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 29' ' ' SER . . . . . . . . 0 C--O 1.218 -0.859 0 N-CA-C 110.104 -1.199 . . . . 25.0 110.104 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 tp -56.28 -33.47 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.199 0.523 . . . . 25.0 111.01 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.8 -32.87 59.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 122.135 -0.353 . . . . 25.0 111.636 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.99 -34.07 66.2 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 118.884 -1.126 . . . . 25.0 108.805 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -75.14 -40.15 59.91 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.599 -0.728 . . . . 25.0 112.919 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.7 m -106.34 -9.5 16.75 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 -172.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.0 t -119.95 -44.98 2.49 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.463 0.574 . . . . 25.0 111.566 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -80.42 -13.26 59.28 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -144.43 178.23 8.09 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 p -99.07 153.44 18.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.533 -1.284 . . . . 25.0 107.533 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.0 p -139.62 165.06 28.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.872 0.368 . . . . 25.0 110.34 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.58 159.81 18.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.1 -30.6 68.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.3 0.482 . . . . 25.0 112.3 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.4 87.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.309 0.576 . . . . 25.0 110.474 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.54 -40.83 80.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.736 0.779 . . . . 25.0 108.921 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD22 HG11 ' A' ' 20' ' ' VAL . 1.6 tt -59.48 -44.07 93.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.058 -0.974 . . . . 25.0 111.036 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.41 -31.2 54.59 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.128 0.489 . . . . 25.0 112.219 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.7 p -63.12 -16.12 58.98 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.766 1.025 . . . . 25.0 113.766 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -84.91 -0.38 53.94 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.579 0.585 . . . . 25.0 112.579 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.6 m -56.79 157.13 5.76 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.411 0.624 . . . . 25.0 111.646 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.12 -27.14 61.52 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.131 0.491 . . . . 25.0 110.035 177.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 174.504 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.1 p . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 mt -126.1 121.56 33.25 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -160.62 -177.71 6.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.412 -1.329 . . . . 25.0 107.412 -177.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.61 82.97 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 115.112 0.805 . . . . 25.0 115.112 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.03 -29.98 7.54 Favored Glycine 0 C--O 1.225 -0.453 0 CA-C-O 119.264 -0.742 . . . . 25.0 113.614 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.11 -33.34 74.27 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 118.429 1.115 . . . . 25.0 109.216 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.63 -41.45 90.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.762 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.62 -38.49 76.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -47.25 84.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 175.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.9 m -63.18 -40.38 97.36 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -63.41 -37.65 88.09 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.01 -0.431 . . . . 25.0 110.244 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -68.41 -37.89 80.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.567 0.222 . . . . 25.0 110.601 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.35 -50.88 63.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.789 0.328 . . . . 25.0 111.832 177.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG11 HD22 ' A' ' 58' ' ' LEU . 9.1 p -75.73 -29.02 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 113.517 0.932 . . . . 25.0 113.517 -174.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -158.81 27.59 0.22 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.09 -50.28 69.13 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.227 -0.987 . . . . 25.0 115.367 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.2 -35.24 78.28 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 122.034 0.921 . . . . 25.0 111.151 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -83.35 -3.74 57.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.21 -0.905 . . . . 25.0 112.275 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.97 155.03 7.4 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 121.376 0.431 . . . . 25.0 112.58 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -155.58 164.34 38.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -126.59 159.01 34.75 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.33 5.79 49.28 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.643 0.735 . . . . 25.0 110.245 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 p . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 105.975 -1.861 . . . . 25.0 105.975 -178.676 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.333 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 tp -66.76 -34.74 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.338 -0.616 . . . . 25.0 109.338 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.23 -39.38 85.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 CA-C-O 121.845 0.831 . . . . 25.0 109.862 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -72.84 -34.03 66.53 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.684 -0.635 . . . . 25.0 111.712 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.55 -32.41 28.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 178.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.1 m -110.84 -14.98 13.9 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 116.423 2.008 . . . . 25.0 116.423 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 45.9 t -112.36 -49.49 2.96 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.204 0.911 . . . . 25.0 110.687 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -77.27 -14.04 59.83 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.133 0.492 . . . . 25.0 110.178 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -139.58 176.59 8.59 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.679 -1.6 . . . . 25.0 106.679 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.5 p -96.93 147.2 24.22 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.7 p -142.6 177.99 7.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.888 -0.782 . . . . 25.0 108.888 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -133.55 162.56 31.58 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -56.02 -30.98 62.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.295 0.85 . . . . 25.0 113.295 -175.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.52 80.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.948 0.404 . . . . 25.0 110.739 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 tt -69.27 -41.03 77.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.897 0.856 . . . . 25.0 109.562 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.46 HD22 HG11 ' A' ' 20' ' ' VAL . 1.9 tt -58.23 -43.27 87.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.237 -0.892 . . . . 25.0 110.674 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.39 -19.92 57.67 Favored 'General case' 0 C--O 1.199 -1.592 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.8 p -65.58 -16.71 63.97 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -89.23 1.94 54.98 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.067 0.461 . . . . 25.0 111.885 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.4 t -65.49 154.41 38.63 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.57 -35.4 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.738 0.304 . . . . 25.0 111.158 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 176.262 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.4 p . . . . . 0 C--O 1.239 0.524 0 CA-C-O 120.918 0.39 . . . . 25.0 111.313 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 mt -141.82 129.62 21.72 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.0 m -142.75 161.94 36.78 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.822 0.344 . . . . 25.0 110.609 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.4 -144.81 48.81 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.989 -0.624 . . . . 25.0 112.567 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.77 -23.72 70.94 Favored Glycine 0 C--O 1.212 -1.244 0 C-N-CA 121.169 -0.539 . . . . 25.0 113.311 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.41 -33.69 76.54 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 117.93 0.865 . . . . 25.0 110.612 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 tp -66.93 -42.49 85.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.22 -41.62 92.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -46.43 84.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.146 0.498 . . . . 25.0 110.1 177.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -62.75 -40.75 98.21 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.561 -0.456 . . . . 25.0 111.993 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -65.12 -38.68 91.43 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.117 -0.364 . . . . 25.0 110.479 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -67.0 -35.9 80.97 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -69.03 -50.85 44.99 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG11 HD22 ' A' ' 58' ' ' LEU . 9.8 p -76.27 -30.22 19.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 113.256 0.836 . . . . 25.0 113.256 -173.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.6 m -102.54 -17.48 15.73 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.157 0.799 . . . . 25.0 113.157 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.4 178.4 49.67 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 109.585 -1.406 . . . . 25.0 109.585 -174.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -70.32 10.11 0.5 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.585 -0.808 . . . . 25.0 112.113 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -82.89 -9.9 59.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.865 -0.522 . . . . 25.0 111.187 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.89 161.58 25.71 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-O 122.558 1.088 . . . . 25.0 114.911 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -157.41 166.11 33.92 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.817 -1.92 . . . . 25.0 105.817 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -115.95 144.4 44.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.7 4.83 42.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.679 0.752 . . . . 25.0 110.06 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.218 -0.554 0 N-CA-C 105.594 -2.002 . . . . 25.0 105.594 179.758 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.208 0 N-CA-C 113.491 0.156 . . . . 25.0 113.491 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 tp -63.08 -35.11 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.961 -0.729 . . . . 25.0 109.948 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.01 -37.12 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.687 0.756 . . . . 25.0 110.203 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.7 -33.96 69.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.221 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.36 -33.89 19.0 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -103.07 -20.1 14.31 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 115.498 1.666 . . . . 25.0 115.498 -175.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.6 t -110.51 -44.36 3.7 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.41 1.005 . . . . 25.0 111.182 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -82.76 -16.11 49.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.55 0.69 . . . . 25.0 110.571 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -138.27 -179.39 5.76 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.916 -1.883 . . . . 25.0 105.916 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 p -98.14 149.75 22.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.3 0.571 . . . . 25.0 109.725 174.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.9 p -142.14 176.59 8.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -132.68 161.32 34.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 105.397 -2.075 . . . . 25.0 105.397 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.83 -32.27 52.27 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 113.357 0.873 . . . . 25.0 113.357 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.13 82.4 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.96 0.41 . . . . 25.0 111.732 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.25 -40.43 81.95 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 122.034 0.921 . . . . 25.0 109.278 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.496 HD22 HG11 ' A' ' 20' ' ' VAL . 2.0 tt -59.85 -43.09 94.83 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.018 -0.992 . . . . 25.0 110.6 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -58.24 -23.84 57.31 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.66 1.219 . . . . 25.0 113.69 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.6 p -60.16 -21.52 61.76 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 174.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -86.66 -4.11 59.13 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.375 1.25 . . . . 25.0 114.375 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.2 146.84 53.61 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.051 0.387 . . . . 25.0 110.646 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.32 -22.87 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.096 0.474 . . . . 25.0 111.178 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.088 -0.505 . . . . 25.0 109.667 -179.563 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 121.461 0.648 . . . . 25.0 109.422 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.5 mt -110.31 123.93 50.73 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.392 -0.822 . . . . 25.0 110.011 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.3 m -133.79 158.84 42.34 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.595 -0.73 . . . . 25.0 110.099 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.56 -142.34 47.75 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.646 -0.788 . . . . 25.0 112.465 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.93 -24.86 70.38 Favored Glycine 0 C--O 1.219 -0.81 0 C-N-CA 121.432 -0.413 . . . . 25.0 113.184 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.38 -38.03 79.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.845 0.831 . . . . 25.0 110.825 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.5 tp -70.58 -41.24 72.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.559 -0.746 . . . . 25.0 109.81 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.85 -44.19 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.134 -0.484 . . . . 25.0 110.109 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -62.54 -36.06 81.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.697 0.284 . . . . 25.0 110.906 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 m -67.92 -40.69 83.35 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.811 -0.355 . . . . 25.0 111.103 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.61 -38.54 91.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -66.31 -41.51 89.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -65.45 -48.86 71.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.01 -30.32 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.023 0.439 . . . . 25.0 111.686 -175.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -91.81 -41.49 10.62 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 113.167 0.803 . . . . 25.0 113.167 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.52 -159.01 33.03 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 104.907 -3.277 . . . . 25.0 104.907 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -66.29 3.62 0.88 Allowed 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -80.08 -10.61 59.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.227 -0.92 . . . . 25.0 113.21 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.85 170.44 45.84 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 115.112 0.805 . . . . 25.0 115.112 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -155.65 170.95 20.83 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.8 0.44 . . . . 25.0 110.038 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -118.36 155.97 29.76 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.18 -0.99 52.68 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.372 0.606 . . . . 25.0 110.038 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 C--O 1.216 -0.685 0 N-CA-C 106.172 -1.788 . . . . 25.0 106.172 178.597 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 N-CA-C 110.737 -0.945 . . . . 25.0 110.737 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -56.38 -29.57 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 117.133 0.466 . . . . 25.0 111.374 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -67.7 -30.94 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 121.719 -0.613 . . . . 25.0 111.143 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -68.94 -36.45 77.96 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -79.59 -43.6 22.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.767 -0.652 . . . . 25.0 112.375 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.7 m -108.59 -13.9 14.73 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 116.463 2.023 . . . . 25.0 116.463 -170.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -109.17 -45.01 3.83 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.274 0.943 . . . . 25.0 110.708 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -83.78 -16.01 46.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.349 0.595 . . . . 25.0 110.561 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -138.45 173.87 11.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.354 -2.091 . . . . 25.0 105.354 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 p -92.99 153.24 18.86 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.5 p -141.87 164.24 30.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.197 0.523 . . . . 25.0 111.321 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -108.54 157.99 17.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -59.09 -29.3 67.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.51 82.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.2 0.524 . . . . 25.0 110.305 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.76 -42.17 86.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.963 0.887 . . . . 25.0 109.071 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tt -58.9 -42.95 90.81 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.06 -0.973 . . . . 25.0 110.82 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -57.84 -21.04 40.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.0 p -68.09 -16.2 63.91 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.282 -0.886 . . . . 25.0 112.465 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -93.89 -0.68 55.57 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.691 0.396 . . . . 25.0 110.887 175.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.8 t -72.52 156.35 39.11 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.36 -20.63 60.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.821 0.343 . . . . 25.0 111.021 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.5 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.523 -178.24 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.43 ' HB ' ' HA ' ' A' ' 49' ' ' CYS . 1.1 p . . . . . 0 C--O 1.236 0.351 0 CA-C-O 121.421 0.629 . . . . 25.0 110.795 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -102.41 114.32 28.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.288 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -125.28 -57.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.942 1.46 . . . . 25.0 114.942 -174.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.89 -134.67 6.49 Favored Glycine 0 C--O 1.222 -0.619 0 CA-C-N 116.323 -0.399 . . . . 25.0 113.363 -175.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.33 -24.48 55.78 Favored Glycine 0 C--O 1.216 -1.024 0 C-N-CA 121.217 -0.516 . . . . 25.0 113.45 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.92 -32.94 73.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.15 -0.618 . . . . 25.0 111.767 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.34 -40.35 70.77 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.36 -43.76 98.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.34 -47.12 82.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.287 0.565 . . . . 25.0 110.575 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -64.07 -38.73 92.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.958 0.408 . . . . 25.0 111.945 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.23 -38.79 91.49 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.092 -0.38 . . . . 25.0 110.114 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.34 -39.17 81.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.63 -47.23 82.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.7 -25.57 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 -175.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.6 m -99.18 -29.63 12.73 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.303 1.964 . . . . 25.0 116.303 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.95 -172.52 54.33 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 108.128 -1.989 . . . . 25.0 108.128 -168.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.95 -3.94 2.94 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.963 1.468 . . . . 25.0 114.963 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -80.54 -5.93 57.47 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.045 1.128 . . . . 25.0 114.045 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.95 179.21 50.0 Favored Glycine 0 C--O 1.228 -0.259 0 N-CA-C 116.663 1.425 . . . . 25.0 116.663 173.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -158.77 170.9 21.11 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.321 -1.363 . . . . 25.0 107.321 -174.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.58 130.0 53.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 175.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -46.25 64.77 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 176.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 114.425 1.268 . . . . 25.0 114.425 -176.592 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 N-CA-C 114.945 0.738 . . . . 25.0 114.945 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.46 -41.63 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 118.222 1.011 . . . . 25.0 113.254 -173.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.02 -30.96 24.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 O-C-N 121.16 -0.962 . . . . 25.0 109.69 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -73.35 -34.01 65.4 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.201 -0.937 . . . . 25.0 110.99 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -84.63 -20.98 30.49 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.2 m -110.02 -13.3 14.42 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.312 1.597 . . . . 25.0 115.312 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.43 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 42.3 t -112.74 -50.76 2.87 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -78.03 -17.47 57.03 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.486 0.66 . . . . 25.0 109.523 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -143.04 171.05 14.58 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 104.11 -2.552 . . . . 25.0 104.11 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -91.54 158.19 16.6 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -140.05 160.87 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -96.54 155.01 16.95 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.977 -1.12 . . . . 25.0 107.977 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -59.08 -29.95 67.72 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 120.651 0.263 . . . . 25.0 110.952 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.81 75.63 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.019 0.438 . . . . 25.0 110.749 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.56 -40.44 80.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.741 0.781 . . . . 25.0 109.84 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.76 -42.52 93.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.221 -0.899 . . . . 25.0 110.066 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -57.5 -25.01 59.16 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -177.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.8 p -63.7 -16.1 60.17 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -86.76 0.63 54.38 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 112.16 0.429 . . . . 25.0 112.16 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 t -64.99 161.03 19.47 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.11 -20.11 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.329 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 p . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 111.946 0.35 . . . . 25.0 111.946 -176.702 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 CA--C 1.519 -0.25 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 mt -135.51 130.54 34.79 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.519 0.728 . . . . 25.0 109.73 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.05 -179.65 8.23 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.483 . . . . 25.0 109.697 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.45 33.11 74.87 Favored Glycine 0 C--O 1.219 -0.828 0 N-CA-C 116.191 1.237 . . . . 25.0 116.191 171.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.32 -25.97 17.81 Favored Glycine 0 C--O 1.219 -0.798 0 C-N-CA 120.843 -0.694 . . . . 25.0 113.447 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -63.68 -29.24 70.5 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 122.187 0.994 . . . . 25.0 109.106 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 tp -62.41 -40.39 96.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.363 -0.835 . . . . 25.0 110.416 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.66 -39.41 78.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.21 -44.06 87.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.776 0.798 . . . . 25.0 109.63 176.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -65.05 -40.19 94.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.72 -0.612 . . . . 25.0 112.262 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.08 -37.91 89.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.67 -40.49 84.43 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.83 -50.45 66.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.403 HG11 HD22 ' A' ' 58' ' ' LEU . 7.2 p -68.24 -26.29 33.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 O-C-N 121.872 -0.517 . . . . 25.0 112.187 -175.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.9 m -102.38 -41.03 6.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 115.368 1.618 . . . . 25.0 115.368 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.34 -150.12 46.56 Favored Glycine 0 N--CA 1.432 -1.625 0 N-CA-C 108.735 -1.746 . . . . 25.0 108.735 -172.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.47 -19.7 26.01 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 112.55 -1.825 . . . . 25.0 115.921 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -73.59 -14.48 61.2 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.627 -0.671 . . . . 25.0 112.797 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.09 173.96 49.21 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 115.059 0.783 . . . . 25.0 115.059 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -157.4 170.37 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 -176.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -134.78 157.02 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.225 -0.658 . . . . 25.0 109.225 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.99 -13.6 52.89 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.716 0.77 . . . . 25.0 111.017 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.7 p . . . . . 0 C--O 1.216 -0.662 0 N-CA-C 104.146 -2.539 . . . . 25.0 104.146 177.086 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.065 0 CA-C-O 120.301 -0.166 . . . . 25.0 113.11 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.429 HD11 ' HG ' ' A' ' 58' ' ' LEU . 7.2 tp -59.12 -35.29 56.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.206 0.527 . . . . 25.0 111.724 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.31 -38.0 78.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 121.581 -0.7 . . . . 25.0 111.259 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -73.04 -33.88 65.96 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.267 -0.973 . . . . 25.0 111.09 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.31 -23.1 30.41 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 94.7 m -110.49 -19.0 13.09 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 115.048 1.499 . . . . 25.0 115.048 -177.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.0 t -106.57 -52.05 2.85 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.905 0.775 . . . . 25.0 110.721 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -78.69 -15.72 58.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.293 0.568 . . . . 25.0 110.765 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -140.69 168.61 19.39 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 105.386 -2.079 . . . . 25.0 105.386 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.7 p -90.17 150.52 21.98 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.7 p -139.78 167.97 20.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.195 0.521 . . . . 25.0 110.266 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -120.6 157.01 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.19 -31.94 61.8 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 113.408 0.892 . . . . 25.0 113.408 -178.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.67 96.03 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.168 0.509 . . . . 25.0 111.473 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -72.17 -39.57 68.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.807 0.813 . . . . 25.0 109.413 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' A' ' 44' ' ' ILE . 2.3 tt -59.69 -43.25 94.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.08 -0.964 . . . . 25.0 109.921 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -56.48 -20.94 22.52 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.7 p -68.27 -16.11 63.83 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.254 -0.903 . . . . 25.0 112.725 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -94.27 2.04 55.91 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.348 0.594 . . . . 25.0 111.059 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.52 162.51 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.18 -28.96 69.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 122.206 -0.309 . . . . 25.0 111.275 -179.683 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.234 0.283 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.65 100.26 8.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.905 0.86 . . . . 25.0 110.395 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -149.54 -166.03 2.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.236 -0.893 . . . . 25.0 110.033 -174.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.22 32.33 83.5 Favored Glycine 0 C--O 1.219 -0.813 0 N-CA-C 115.168 0.827 . . . . 25.0 115.168 171.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.85 -28.18 5.59 Favored Glycine 0 C--O 1.227 -0.318 0 C-N-CA 120.867 -0.683 . . . . 25.0 113.024 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -65.7 -23.87 66.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.917 0.858 . . . . 25.0 109.549 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.9 tp -59.51 -43.94 93.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.534 -0.303 . . . . 25.0 110.547 173.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.48 -40.89 85.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -57.57 -40.75 79.65 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.5 0.667 . . . . 25.0 109.831 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -69.78 -39.73 76.46 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 121.724 -0.61 . . . . 25.0 112.458 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.58 -38.64 90.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.33 -37.41 80.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.893 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -66.97 -47.87 70.24 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.91 -0.494 . . . . 25.0 112.101 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.65 -32.07 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -160.31 33.85 0.17 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.485 1.661 . . . . 25.0 115.485 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.09 -27.09 68.34 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.646 -0.788 . . . . 25.0 113.979 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -74.26 -18.54 60.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.944 0.402 . . . . 25.0 111.305 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -93.89 -25.83 17.15 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 120.99 0.424 . . . . 25.0 110.59 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.18 160.81 35.69 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 108.697 -1.761 . . . . 25.0 108.697 -171.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -155.78 166.81 32.38 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -130.86 160.97 32.86 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.43 -1.88 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.11 0.481 . . . . 25.0 111.387 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 105.969 -1.863 . . . . 25.0 105.969 175.579 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.377 0 N-CA-C 110.466 -1.054 . . . . 25.0 110.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.5 HD11 ' HG ' ' A' ' 58' ' ' LEU . 4.4 tp -59.09 -41.25 82.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.883 0.373 . . . . 25.0 110.114 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.15 -32.94 59.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.95 0.405 . . . . 25.0 110.609 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.94 -33.54 65.99 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 119.557 -0.857 . . . . 25.0 110.425 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -83.53 -35.69 24.62 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -101.59 -19.61 15.39 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 116.462 2.023 . . . . 25.0 116.462 -173.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.4 t -112.32 -45.29 3.28 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.252 0.478 . . . . 25.0 111.507 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -79.04 -15.37 58.32 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.958 0.409 . . . . 25.0 110.019 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -144.47 -179.62 6.67 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 104.117 -2.549 . . . . 25.0 104.117 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 m -96.94 153.02 18.15 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 175.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.3 p -143.72 164.94 29.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 25.0 110.764 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -103.62 156.83 17.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.534 -0.757 . . . . 25.0 109.572 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.85 -29.66 63.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.423 0.289 . . . . 25.0 111.633 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.72 -48.5 63.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 25.0 110.596 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.98 -40.03 87.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.777 0.798 . . . . 25.0 109.853 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' HG ' HD11 ' A' ' 44' ' ' ILE . 3.0 tt -58.07 -44.85 87.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.037 -0.983 . . . . 25.0 110.035 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -60.89 -19.25 60.08 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.288 0.847 . . . . 25.0 113.288 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.9 p -69.57 -16.05 63.34 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.069 -1.019 . . . . 25.0 112.866 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -86.44 1.54 50.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.96 0.409 . . . . 25.0 112.047 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.3 m -74.62 162.19 28.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.876 -0.787 . . . . 25.0 108.876 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -18.68 64.42 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.026 0.441 . . . . 25.0 111.38 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 p . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 174.778 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.236 0.35 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.66 98.87 12.02 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.35 1.072 . . . . 25.0 110.185 -174.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.41 -168.5 3.12 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.259 -1.337 . . . . 25.0 110.319 -172.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.33 28.86 73.99 Favored Glycine 0 C--O 1.219 -0.795 0 N-CA-C 114.975 0.75 . . . . 25.0 114.975 173.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.93 -27.4 6.7 Favored Glycine 0 C--O 1.225 -0.457 0 CA-C-O 119.348 -0.695 . . . . 25.0 113.235 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -64.78 -23.57 67.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.24 1.02 . . . . 25.0 109.408 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.03 -41.03 82.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.71 174.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.26 -40.14 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.179 -0.675 . . . . 25.0 109.179 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.61 -39.95 93.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.408 0.623 . . . . 25.0 109.516 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -65.74 -41.65 91.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.827 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.27 -36.93 81.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.491 0.662 . . . . 25.0 109.825 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -70.65 -33.45 70.98 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.066 -0.515 . . . . 25.0 111.196 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -73.86 -49.41 25.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.455 HG11 HD22 ' A' ' 58' ' ' LEU . 9.9 p -73.36 -27.51 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -174.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 m -130.85 -54.47 1.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.58 -102.21 0.18 Allowed Glycine 0 CA--C 1.517 0.208 0 N-CA-C 115.877 1.111 . . . . 25.0 115.877 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.5 -13.6 62.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.827 0.451 . . . . 25.0 112.063 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -71.39 -15.5 62.37 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 174.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.14 157.1 13.67 Favored Glycine 0 C--O 1.226 -0.362 0 N-CA-C 110.113 -1.195 . . . . 25.0 110.113 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 51.3 p90 -160.12 160.62 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.679 0.739 . . . . 25.0 110.572 178.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -131.38 161.17 33.01 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.385 -0.968 . . . . 25.0 108.385 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.34 -50.75 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 106.038 -1.838 . . . . 25.0 106.038 172.86 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.522 0 N-CA-C 112.154 -0.378 . . . . 25.0 112.154 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 tp -58.91 -32.04 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 117.339 0.57 . . . . 25.0 111.682 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.83 -36.09 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.542 0.687 . . . . 25.0 110.259 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.77 -38.17 70.37 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.723 -0.611 . . . . 25.0 110.418 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.45 -29.69 27.86 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.857 1.429 . . . . 25.0 114.857 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.6 m -109.45 -17.19 13.83 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.982 1.845 . . . . 25.0 115.982 -175.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.0 t -114.69 -44.07 3.1 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -82.95 -15.92 49.41 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.97 0.891 . . . . 25.0 109.003 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -127.84 -159.71 0.96 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.291 -3.225 . . . . 25.0 102.291 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 t -136.76 150.92 48.66 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 104.748 -2.316 . . . . 25.0 104.748 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.406 ' HB2' HD22 ' A' ' 57' ' ' LEU . 22.5 p -136.84 163.44 30.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.098 0.475 . . . . 25.0 111.938 -172.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -99.68 160.58 14.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 174.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.65 -30.43 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.13 91.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.157 0.504 . . . . 25.0 110.475 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.406 HD22 ' HB2' ' A' ' 53' ' ' CYS . 6.8 tt -68.95 -41.7 77.66 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.455 HD22 HG11 ' A' ' 20' ' ' VAL . 2.0 tt -58.89 -42.66 90.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.616 -0.72 . . . . 25.0 110.611 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -56.95 -24.08 50.24 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 p -68.04 -16.33 63.98 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.237 -0.915 . . . . 25.0 113.219 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -89.74 1.95 55.46 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.108 0.48 . . . . 25.0 110.921 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 81.5 m -77.85 158.1 29.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 25.0 110.949 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.11 -28.47 62.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.198 -0.456 . . . . 25.0 112.225 -173.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 175.539 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 106.395 -1.706 . . . . 25.0 106.395 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.86 110.95 17.35 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.78 -1.192 . . . . 25.0 107.78 -176.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.85 -163.1 1.5 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.338 -170.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.49 29.28 72.99 Favored Glycine 0 C--O 1.218 -0.9 0 N-CA-C 115.23 0.852 . . . . 25.0 115.23 174.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.14 -28.3 6.24 Favored Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.923 -0.655 . . . . 25.0 112.739 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -63.86 -25.01 67.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.606 0.703 . . . . 25.0 109.492 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.41 -39.73 88.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.843 175.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.05 -40.56 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -37.92 87.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.477 0.656 . . . . 25.0 109.79 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -67.72 -40.45 84.26 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.547 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.68 -36.96 84.59 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -69.01 -37.95 78.95 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.468 -0.333 . . . . 25.0 110.822 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -68.24 -48.2 65.73 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -74.13 -31.1 28.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 O-C-N 122.207 -0.308 . . . . 25.0 111.623 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.6 m -129.85 -56.14 1.13 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.597 1.332 . . . . 25.0 114.597 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.62 -106.51 0.6 Allowed Glycine 0 N--CA 1.462 0.385 0 N-CA-C 115.665 1.026 . . . . 25.0 115.665 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -59.13 -28.37 66.49 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.72 0.808 . . . . 25.0 112.54 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -64.06 -16.62 62.12 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.395 -0.366 . . . . 25.0 111.143 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.94 147.37 10.1 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.278 -1.129 . . . . 25.0 110.278 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.525 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 48.4 p90 -158.13 163.47 37.57 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -136.2 158.72 43.74 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.32 -12.0 59.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 174.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.214 -0.769 0 CA-C-N 115.503 -0.771 . . . . 25.0 111.459 -176.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.556 0 CA-C-O 120.068 -0.295 . . . . 25.0 113.192 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.402 HD11 ' HG ' ' A' ' 58' ' ' LEU . 4.1 tp -51.18 -33.88 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.511 0.724 . . . . 25.0 112.112 -176.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 m -68.92 -26.21 31.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 121.888 -0.507 . . . . 25.0 112.169 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.7 -33.97 73.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 -177.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.65 -36.21 14.51 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 113.498 0.925 . . . . 25.0 113.498 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.7 m -108.71 -10.89 15.13 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 117.131 2.271 . . . . 25.0 117.131 -173.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.6 t -116.27 -46.97 2.77 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.393 0.997 . . . . 25.0 111.513 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -80.93 -15.15 57.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.136 -0.69 . . . . 25.0 109.136 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -136.3 168.65 19.03 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 p -92.04 154.01 19.04 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.3 p -145.88 160.86 41.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.552 0.691 . . . . 25.0 112.781 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -89.07 156.02 19.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.009 -0.996 . . . . 25.0 108.447 175.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.08 -29.65 68.71 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 120.627 0.251 . . . . 25.0 110.495 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.98 -42.45 80.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.049 0.452 . . . . 25.0 111.081 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.03 -42.8 75.88 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.825 -0.805 . . . . 25.0 108.825 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HG ' HD11 ' A' ' 44' ' ' ILE . 2.9 tt -57.84 -42.09 83.69 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.011 -0.995 . . . . 25.0 110.052 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -57.36 -24.27 54.26 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.5 p -67.05 -19.52 65.69 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.389 -0.819 . . . . 25.0 113.16 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -79.67 0.33 30.74 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.415 0.626 . . . . 25.0 112.255 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 71.0 m -77.67 165.91 23.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.672 0.748 . . . . 25.0 111.131 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.23 -23.45 61.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.323 -0.562 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 172.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.927 0 CA-C-O 122.612 1.196 . . . . 25.0 113.932 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -107.67 168.6 9.15 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -68.89 148.67 97.96 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -59.05 -28.27 87.37 Favored 'Trans proline' 0 C--N 1.347 0.477 0 O-C-N 122.025 0.487 . . . . 25.0 112.18 172.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -144.45 113.35 6.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 105.442 -2.059 . . . . 25.0 105.442 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -85.09 -13.42 50.39 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 174.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.1 p -84.14 165.84 18.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.668 -1.151 . . . . 25.0 110.211 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -128.51 127.68 42.88 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 122.792 0.437 . . . . 25.0 110.243 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.2 m -132.51 -47.01 0.89 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 115.69 1.737 . . . . 25.0 115.69 -174.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.81 -132.95 7.55 Favored Glycine 0 C--O 1.229 -0.164 0 CA-C-O 121.622 0.568 . . . . 25.0 114.03 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.33 -26.6 70.74 Favored Glycine 0 C--O 1.219 -0.811 0 C-N-CA 121.016 -0.612 . . . . 25.0 111.717 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -66.37 -26.5 67.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.795 0.295 . . . . 25.0 111.795 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.7 tp -72.36 -42.6 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.0 t -64.18 -39.69 86.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.35 -45.36 93.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.055 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.8 m -62.68 -40.11 96.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.805 0.336 . . . . 25.0 111.676 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.74 -38.46 91.18 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.213 -0.305 . . . . 25.0 110.439 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -67.47 -40.46 85.31 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -63.83 -50.42 68.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.05 -30.24 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 121.109 0.481 . . . . 25.0 111.534 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -89.64 -33.98 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.27 -136.77 30.57 Favored Glycine 0 N--CA 1.433 -1.505 0 N-CA-C 105.164 -3.174 . . . . 25.0 105.164 -169.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -79.09 2.21 21.53 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.968 -1.116 . . . . 25.0 113.355 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 -72.25 -21.1 61.43 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 121.051 -1.031 . . . . 25.0 113.116 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.95 163.46 30.15 Favored Glycine 0 C--O 1.223 -0.536 0 C-N-CA 121.193 -0.527 . . . . 25.0 112.691 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -152.09 170.5 19.79 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.577 0.688 . . . . 25.0 111.284 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.93 143.88 51.1 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.77 -16.76 43.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.552 0.691 . . . . 25.0 109.612 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -103.54 152.06 22.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.415 -0.812 . . . . 25.0 108.913 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.55 -53.54 64.74 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 120.176 -0.61 . . . . 25.0 112.258 175.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -74.97 142.22 27.67 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 117.832 -0.979 . . . . 25.0 111.708 173.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.53 -37.34 79.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.194 0.521 . . . . 25.0 111.439 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 t 60.76 -171.34 0.14 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.066 -0.97 . . . . 25.0 110.482 -175.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -146.18 21.71 1.38 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.482 0.658 . . . . 25.0 110.312 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.61 95.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 -177.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 m -72.99 71.65 1.09 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.936 -1.029 . . . . 25.0 113.019 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -84.32 169.16 14.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -75.32 -0.71 20.63 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 111.99 0.367 . . . . 25.0 111.99 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -120.73 83.9 36.6 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 122.678 0.391 . . . . 25.0 110.473 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.36 171.88 17.26 Favored 'Trans proline' 0 C--N 1.345 0.374 0 O-C-N 121.808 0.373 . . . . 25.0 111.847 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -77.75 171.86 14.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 173.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -68.81 160.16 31.06 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 116.444 -0.343 . . . . 25.0 110.264 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 175.39 -113.04 0.43 Allowed Glycine 0 C--O 1.219 -0.796 0 N-CA-C 117.513 1.765 . . . . 25.0 117.513 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.0 tp -57.98 -34.8 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 114.232 1.197 . . . . 25.0 114.232 -169.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -64.41 -31.0 51.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.289 0.566 . . . . 25.0 110.734 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.26 -40.23 93.66 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.01 -0.431 . . . . 25.0 111.346 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -90.92 -29.69 17.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.3 m -102.29 -15.62 16.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 115.238 1.57 . . . . 25.0 115.238 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -115.8 -50.79 2.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.156 0.435 . . . . 25.0 111.803 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -76.97 -16.37 59.36 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.285 0.564 . . . . 25.0 109.822 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -135.5 -170.94 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 105.534 -2.024 . . . . 25.0 105.534 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.4 p -114.23 142.92 45.66 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -127.59 176.93 7.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.237 0.335 . . . . 25.0 110.282 -177.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -121.98 159.56 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -58.82 -31.46 68.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.92 89.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.283 0.563 . . . . 25.0 110.708 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.55 -39.01 77.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.625 0.726 . . . . 25.0 109.213 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.48 -43.18 97.25 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.484 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.21 -18.12 56.65 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.8 p -69.12 -16.31 63.63 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.082 -1.011 . . . . 25.0 112.14 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -90.96 -1.46 57.82 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.363 0.602 . . . . 25.0 110.849 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.75 158.7 34.14 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.02 -31.61 72.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.901 0.381 . . . . 25.0 111.007 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p -138.99 153.26 71.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 107.867 -1.16 . . . . 25.0 107.867 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -74.99 -178.84 4.44 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 120.685 0.923 . . . . 25.0 113.603 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.57 139.53 25.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.413 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -112.6 10.12 19.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 122.161 0.981 . . . . 25.0 109.895 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.5 t -86.99 89.68 8.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.738 -1.119 . . . . 25.0 109.343 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 . . . . . 0 C--O 1.302 3.844 0 CA-C-O 113.113 -3.327 . . . . 25.0 111.447 -179.42 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 123.393 1.568 . . . . 25.0 114.344 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -104.8 160.66 14.82 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.266 -0.879 . . . . 25.0 109.15 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.92 151.26 97.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.28 -31.25 94.8 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 N-CA-C 114.491 0.92 . . . . 25.0 114.491 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -96.28 38.49 1.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 114.774 1.398 . . . . 25.0 114.774 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -95.03 -31.67 13.49 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.784 -0.366 . . . . 25.0 110.792 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 p -125.71 151.2 46.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 -174.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.8 mt -135.44 129.44 33.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.119 -0.946 . . . . 25.0 108.636 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -148.46 164.75 33.22 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.898 -0.321 . . . . 25.0 110.161 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.25 -144.35 45.37 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 121.035 -0.602 . . . . 25.0 112.395 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.46 -22.65 71.49 Favored Glycine 0 C--O 1.219 -0.791 0 C-N-CA 121.132 -0.556 . . . . 25.0 113.597 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.67 -37.55 86.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.645 0.723 . . . . 25.0 109.68 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.5 tp -66.8 -42.05 86.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.61 -43.86 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.98 -37.62 80.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.99 0.424 . . . . 25.0 110.628 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 m -70.67 -39.6 73.45 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.728 -0.389 . . . . 25.0 111.865 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.14 -37.75 86.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.49 0.662 . . . . 25.0 109.591 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -69.97 -33.18 71.75 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.281 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -74.11 -47.11 38.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.409 HG11 HD22 ' A' ' 58' ' ' LEU . 9.9 p -73.84 -25.97 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -174.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.4 m -137.18 -53.85 0.69 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.43 -100.2 0.09 OUTLIER Glycine 0 N--CA 1.464 0.527 0 N-CA-C 115.924 1.13 . . . . 25.0 115.924 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.82 -32.22 63.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.954 0.902 . . . . 25.0 112.048 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -72.56 -5.39 36.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 25.0 112.128 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.58 158.65 10.35 Favored Glycine 0 C--O 1.229 -0.192 0 CA-C-N 116.669 -0.241 . . . . 25.0 113.113 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -161.43 162.77 30.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.022 0.411 . . . . 25.0 111.165 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -130.61 151.77 50.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.33 -18.32 28.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.714 0.769 . . . . 25.0 111.017 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -112.12 163.94 13.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.679 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -70.0 -53.67 10.98 Favored Pre-proline 0 N--CA 1.468 0.47 0 C-N-CA 119.86 -0.736 . . . . 25.0 111.871 174.534 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.75 137.15 37.79 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 115.992 -2.206 . . . . 25.0 110.722 170.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.36 -50.29 40.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.341 0.591 . . . . 25.0 110.405 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m 52.56 -167.03 0.06 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.785 -1.098 . . . . 25.0 113.04 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -149.31 38.51 0.79 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.803 0.811 . . . . 25.0 109.7 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.34 76.09 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 122.164 0.983 . . . . 25.0 111.899 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -80.06 64.59 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.813 0.816 . . . . 25.0 109.928 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -99.43 25.92 6.55 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.043 -0.526 . . . . 25.0 110.131 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 57.9 18.39 4.97 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.286 1.035 . . . . 25.0 113.31 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -89.77 117.45 68.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.481 -0.562 . . . . 25.0 109.481 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.79 159.05 38.84 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 116.784 -1.677 . . . . 25.0 112.81 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -140.0 164.28 30.45 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.764 -1.569 . . . . 25.0 106.764 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.7 ptt85 -70.3 154.26 42.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.425 0.631 . . . . 25.0 109.809 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.78 -124.92 1.47 Allowed Glycine 0 N--CA 1.453 -0.228 0 N-CA-C 110.39 -1.084 . . . . 25.0 110.39 -173.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 tp -55.16 -35.44 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.32 -39.45 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 O-C-N 121.482 -0.761 . . . . 25.0 111.183 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -66.94 -32.07 73.08 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.864 -0.522 . . . . 25.0 110.848 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -81.91 -40.32 22.52 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.25 -18.19 14.99 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 116.854 2.168 . . . . 25.0 116.854 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.6 t -109.64 -45.52 3.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.663 0.665 . . . . 25.0 111.398 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -76.09 -20.74 57.41 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.863 0.364 . . . . 25.0 110.337 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -145.21 178.41 8.09 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.5 p -88.24 152.94 21.61 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 123.483 0.49 . . . . 25.0 110.699 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.7 p -143.8 163.63 32.81 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.828 0.347 . . . . 25.0 111.595 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -109.18 157.86 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.586 -0.733 . . . . 25.0 109.296 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.52 -28.48 67.11 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.49 78.16 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.215 0.531 . . . . 25.0 110.083 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.07 -40.93 91.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.9 0.857 . . . . 25.0 109.076 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.409 HD22 HG11 ' A' ' 20' ' ' VAL . 1.4 tt -58.73 -43.37 90.17 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.961 -1.018 . . . . 25.0 110.897 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.59 -27.0 62.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.64 0.608 . . . . 25.0 112.64 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.9 p -67.77 -16.19 64.0 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.402 -0.811 . . . . 25.0 113.027 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -88.33 1.6 54.28 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.803 0.335 . . . . 25.0 111.686 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -73.38 161.79 30.05 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.3 -27.57 62.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.84 0.352 . . . . 25.0 110.958 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.5 p -83.3 153.24 65.72 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.474 -0.33 . . . . 25.0 111.589 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.14 -177.24 3.68 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 120.924 1.083 . . . . 25.0 111.261 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.94 61.46 0.57 Allowed 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.0 tttt 56.23 25.57 9.39 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.213 1.19 . . . . 25.0 114.213 178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.5 t -116.76 101.43 8.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.212 -1.032 . . . . 25.0 108.212 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--O 1.294 3.406 0 CA-C-O 113.907 -2.949 . . . . 25.0 111.789 -178.021 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 123.188 1.471 . . . . 25.0 114.264 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -79.5 143.01 35.29 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.236 -0.915 . . . . 25.0 109.5 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -71.09 142.42 87.46 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 106.95 -1.5 . . . . 25.0 106.95 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.42 -29.51 84.72 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 121.122 1.214 . . . . 25.0 115.163 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 m -154.94 117.05 4.19 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.613 -1.255 . . . . 25.0 107.613 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -105.13 -1.79 25.06 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 173.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.87 142.67 57.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.709 -1.132 . . . . 25.0 108.666 176.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.22 113.37 26.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.297 0.57 . . . . 25.0 111.827 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 -56.78 1.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 -174.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.85 -137.39 8.11 Favored Glycine 0 C--O 1.221 -0.689 0 CA-C-N 116.281 -0.418 . . . . 25.0 113.837 -174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.29 -22.31 58.29 Favored Glycine 0 C--O 1.224 -0.5 0 C-N-CA 121.251 -0.5 . . . . 25.0 113.183 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -60.86 -37.67 82.91 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 121.015 0.436 . . . . 25.0 110.547 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.2 tp -67.54 -41.19 84.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.138 0.494 . . . . 25.0 109.974 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.88 -39.28 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.66 -41.7 97.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.379 -0.2 . . . . 25.0 110.742 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.5 m -66.33 -42.01 88.8 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 122.077 -0.39 . . . . 25.0 111.884 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' A' ' 58' ' ' LEU . 3.8 mt -60.79 -38.65 86.05 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.72 -0.612 . . . . 25.0 109.809 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.54 -32.99 73.32 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 116.331 -0.395 . . . . 25.0 111.475 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -72.19 -42.72 65.52 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.713 -0.617 . . . . 25.0 111.473 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.7 -38.48 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.1 m -124.75 -8.38 7.31 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 116.698 2.11 . . . . 25.0 116.698 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.19 168.88 41.92 Favored Glycine 0 C--N 1.32 -0.342 0 CA-C-O 121.985 0.769 . . . . 25.0 111.448 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -79.4 15.12 1.33 Allowed 'General case' 0 N--CA 1.472 0.64 0 O-C-N 122.114 -0.639 . . . . 25.0 111.692 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -69.57 -18.65 63.66 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.059 0.762 . . . . 25.0 113.059 -174.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.14 149.28 5.48 Favored Glycine 0 CA--C 1.51 -0.256 0 C-N-CA 121.449 -0.405 . . . . 25.0 112.703 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -160.7 159.54 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.638 -1.616 . . . . 25.0 106.638 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -117.0 142.48 46.9 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -93.65 2.42 56.33 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.529 0.681 . . . . 25.0 112.01 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 p -146.97 151.73 37.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 104.149 -2.538 . . . . 25.0 104.149 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -68.27 -51.12 26.37 Favored Pre-proline 0 N--CA 1.471 0.615 0 N-CA-C 114.394 1.257 . . . . 25.0 114.394 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.39 138.06 38.05 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 116.734 -1.71 . . . . 25.0 111.807 174.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -118.51 -8.24 10.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.708 -0.678 . . . . 25.0 110.718 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.44 29.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 115.935 1.828 . . . . 25.0 115.935 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 53.08 44.27 30.59 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.33 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 122.023 0.916 . . . . 25.0 111.105 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.4 t -146.43 110.1 4.87 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.184 -1.413 . . . . 25.0 107.184 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -148.81 151.9 35.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 57.87 38.48 27.13 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.277 0.985 . . . . 25.0 111.818 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 t 50.78 70.22 2.13 Favored Pre-proline 0 N--CA 1.476 0.867 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.63 164.96 33.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 117.791 -1.006 . . . . 25.0 111.98 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -109.66 172.13 7.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -71.12 172.42 9.21 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.431 -0.349 . . . . 25.0 110.392 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.08 -85.88 1.67 Allowed Glycine 0 C--O 1.22 -0.749 0 CA-C-N 116.296 -0.411 . . . . 25.0 113.141 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -58.07 -36.93 58.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 116.927 0.363 . . . . 25.0 110.925 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.07 -35.28 67.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 O-C-N 121.456 -0.777 . . . . 25.0 110.146 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.15 -39.72 86.57 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.462 -0.774 . . . . 25.0 110.53 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -84.65 -26.65 27.68 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.1 m -103.63 -12.48 17.02 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 116.247 1.943 . . . . 25.0 116.247 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.2 t -118.01 -46.05 2.64 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.46 0.541 . . . . 25.0 112.46 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -83.4 -11.46 57.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.82 -0.807 . . . . 25.0 108.82 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -138.69 171.16 14.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 103.733 -2.691 . . . . 25.0 103.733 171.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.5 p -93.72 149.9 20.85 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.676 -1.601 . . . . 25.0 106.676 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.6 p -137.74 166.47 23.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.054 0.454 . . . . 25.0 110.392 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -112.06 167.41 10.42 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.57 -26.56 68.03 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.42 -45.61 53.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.421 0.555 . . . . 25.0 110.14 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.37 -46.06 91.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.908 0.861 . . . . 25.0 108.991 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 17' ' ' LEU . 5.2 tt -57.11 -44.25 83.07 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.99 -1.004 . . . . 25.0 111.807 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -55.68 -28.14 54.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.062 -0.517 . . . . 25.0 112.166 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.4 p -65.3 -16.3 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.95 -3.85 56.96 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.026 0.38 . . . . 25.0 112.026 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.3 m -73.18 146.98 45.18 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.92 -25.08 61.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 -173.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.9 p -137.12 154.65 75.99 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -81.16 175.67 9.56 Favored 'Trans proline' 0 C--O 1.235 0.345 0 CA-C-O 121.964 0.735 . . . . 25.0 113.461 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.0 150.65 37.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.776 -1.102 . . . . 25.0 108.077 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.2 65.49 1.59 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.593 0.711 . . . . 25.0 109.8 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.1 p -85.88 40.34 0.85 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.886 0.851 . . . . 25.0 111.124 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? . . . . . 0 C--O 1.297 3.594 0 CA-C-O 115.198 -2.334 . . . . 25.0 112.789 -177.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 122.393 1.092 . . . . 25.0 113.75 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -71.91 153.15 42.04 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.206 -0.906 . . . . 25.0 110.75 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.76 146.43 52.72 Favored Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 106.868 -1.531 . . . . 25.0 106.868 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.03 -28.14 58.45 Favored 'Trans proline' 0 C--N 1.35 0.649 0 N-CA-C 116.509 1.696 . . . . 25.0 116.509 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 t -139.36 81.92 1.86 Allowed 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -74.9 0.72 14.71 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.829 0.823 . . . . 25.0 112.775 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 p -79.03 132.15 36.53 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.186 -1.413 . . . . 25.0 107.186 170.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.3 mt -129.62 119.6 23.85 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.905 0.882 . . . . 25.0 108.675 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.2 m -112.98 -164.89 0.95 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.832 -0.622 . . . . 25.0 111.205 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.46 138.17 23.96 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 121.047 -0.597 . . . . 25.0 114.18 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.27 -69.2 3.04 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-O 119.919 -0.379 . . . . 25.0 112.659 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -64.81 -33.62 76.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.687 0.743 . . . . 25.0 111.715 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.3 tp -65.86 -39.42 90.7 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.6 -41.04 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -63.91 -38.96 93.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.25 0.548 . . . . 25.0 110.052 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -64.69 -43.11 94.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.345 -0.389 . . . . 25.0 110.956 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.68 -37.32 83.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.898 -0.501 . . . . 25.0 110.256 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -67.77 -39.51 84.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.618 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.11 -44.3 80.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.236 0.458 . . . . 25.0 112.236 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -73.18 -42.78 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 122.048 -0.407 . . . . 25.0 111.839 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -150.3 29.91 0.7 Allowed 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 115.551 1.686 . . . . 25.0 115.551 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.43 -27.92 66.52 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 120.861 -0.685 . . . . 25.0 112.935 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.24 -37.91 73.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.516 0.674 . . . . 25.0 111.719 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.86 -21.63 17.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.526 -0.761 . . . . 25.0 112.81 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.77 166.0 40.63 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 109.79 -1.324 . . . . 25.0 109.79 -174.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -152.74 166.19 32.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.284 -0.539 . . . . 25.0 111.46 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -118.94 160.84 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.6 5.62 51.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 25.0 110.813 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.3 m -147.13 156.74 43.24 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 104.29 -2.485 . . . . 25.0 104.29 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -60.08 -52.42 73.55 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 112.998 0.74 . . . . 25.0 112.998 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -75.29 156.06 41.68 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 117.688 -1.074 . . . . 25.0 110.878 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.97 5.53 5.06 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.104 0.478 . . . . 25.0 111.905 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.7 m -58.02 134.3 56.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.263 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -125.93 51.95 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.668 0.747 . . . . 25.0 109.583 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 m -125.43 -177.77 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.4 t -146.46 -171.79 3.81 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 102.635 -3.098 . . . . 25.0 102.635 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 52.33 -178.44 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 125.583 1.553 . . . . 25.0 114.154 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 56.48 54.65 7.28 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.604 -0.888 . . . . 25.0 108.604 -170.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.1 p 75.63 151.98 0.14 Allowed Pre-proline 0 N--CA 1.482 1.149 0 C-N-CA 126.114 1.765 . . . . 25.0 111.361 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.58 154.13 68.85 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 118.07 -0.82 . . . . 25.0 112.316 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -126.81 140.95 51.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.12 163.79 20.64 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.326 0.862 . . . . 25.0 113.326 -173.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.8 32.35 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.567 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 tp -55.38 -35.14 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.694 0.798 . . . . 25.0 110.24 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.7 p -61.44 -32.09 52.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.227 0.454 . . . . 25.0 112.227 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -72.94 -38.19 66.88 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.522 -1.271 . . . . 25.0 110.237 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -28.46 54.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.005 0.372 . . . . 25.0 112.005 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.4 m -102.17 -27.84 12.66 Favored 'General case' 0 C--O 1.208 -1.092 0 N-CA-C 116.262 1.949 . . . . 25.0 116.262 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.7 t -106.77 -39.03 5.92 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.512 1.051 . . . . 25.0 111.659 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -89.16 -9.07 52.3 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.873 0.844 . . . . 25.0 110.053 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -139.51 -165.32 1.84 Allowed 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 102.764 -3.051 . . . . 25.0 102.764 171.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 p -120.71 153.76 36.52 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.8 p -143.1 165.81 26.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.258 0.551 . . . . 25.0 112.332 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -117.01 162.77 17.26 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.11 -30.44 68.11 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 111.92 0.341 . . . . 25.0 111.92 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.69 93.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.4 0.619 . . . . 25.0 110.808 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.97 -42.2 70.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.434 ' C ' HD23 ' A' ' 58' ' ' LEU . 5.1 tt -58.7 -43.59 90.07 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.728 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -55.57 -26.29 42.74 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.605 0.717 . . . . 25.0 112.005 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 p -68.77 -16.14 63.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.88 1.067 . . . . 25.0 113.88 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -91.99 -1.04 57.46 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.99 0.516 . . . . 25.0 111.148 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.1 m -74.83 167.7 21.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.941 -0.475 . . . . 25.0 110.654 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -13.94 62.16 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.137 0.494 . . . . 25.0 111.03 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.0 p -124.65 161.59 47.62 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.33 -177.09 3.28 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 118.158 -0.762 . . . . 25.0 110.294 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.93 140.15 38.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.404 -0.362 . . . . 25.0 110.781 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -76.52 45.47 0.39 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.72 1.008 . . . . 25.0 113.72 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.0 t -84.46 82.39 8.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.269 0.557 . . . . 25.0 111.005 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 . . . . . 0 C--O 1.305 3.991 0 CA-C-O 115.082 -2.39 . . . . 25.0 110.334 177.018 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 123.673 1.701 . . . . 25.0 114.247 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -107.66 161.42 14.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.822 -1.081 . . . . 25.0 108.997 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -97.31 147.56 33.14 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 106.464 -1.68 . . . . 25.0 106.464 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -59.83 -29.47 89.62 Favored 'Trans proline' 0 N--CA 1.474 0.346 0 O-C-N 122.157 0.556 . . . . 25.0 113.505 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -123.16 89.69 3.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.151 0.501 . . . . 25.0 110.111 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.3 -19.11 32.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.755 -0.657 . . . . 25.0 110.107 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p -83.59 163.51 20.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.867 -0.606 . . . . 25.0 111.047 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.2 mt -109.39 119.61 39.99 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.065 -0.516 . . . . 25.0 112.045 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.35 164.22 30.83 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.63 -145.44 47.47 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.955 -0.641 . . . . 25.0 113.115 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.66 -22.05 71.41 Favored Glycine 0 C--O 1.22 -0.73 0 C-N-CA 121.162 -0.542 . . . . 25.0 113.856 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.58 -36.63 83.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.952 0.876 . . . . 25.0 109.973 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.93 -42.06 90.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.39 -44.16 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.18 -37.83 78.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.168 0.509 . . . . 25.0 110.781 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.5 m -68.62 -42.36 78.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.987 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' HA ' HD21 ' A' ' 58' ' ' LEU . 3.3 mt -61.7 -38.84 89.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.912 -0.492 . . . . 25.0 110.531 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -67.3 -35.1 78.76 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.796 -0.638 . . . . 25.0 110.733 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -73.97 -47.99 33.51 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.129 0.789 . . . . 25.0 113.129 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.0 -41.61 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.448 0.536 . . . . 25.0 112.448 -173.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 t -105.44 -26.62 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.954 1.094 . . . . 25.0 113.954 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.85 -173.6 35.11 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 109.096 -1.601 . . . . 25.0 109.096 -174.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.71 15.09 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 116.317 1.969 . . . . 25.0 116.317 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -13.48 62.28 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.118 -0.988 . . . . 25.0 112.388 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.69 159.67 34.57 Favored Glycine 0 C--O 1.225 -0.437 0 N-CA-C 110.247 -1.141 . . . . 25.0 110.247 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -156.98 164.15 38.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.46 147.33 49.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -82.27 -12.85 57.79 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.922 -0.487 . . . . 25.0 111.708 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -130.25 141.84 50.6 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 174.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -49.78 -48.01 78.27 Favored Pre-proline 0 N--CA 1.481 1.111 0 N-CA-C 119.761 3.245 . . . . 25.0 119.761 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -66.19 120.45 7.59 Favored 'Trans proline' 0 C--O 1.224 -0.191 0 C-N-CA 117.474 -1.217 . . . . 25.0 114.388 -175.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.66 26.84 0.77 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.769 -1.56 . . . . 25.0 112.592 -176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.2 t -61.35 141.47 57.58 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.163 -0.926 . . . . 25.0 109.258 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -79.09 52.44 1.29 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.277 0.843 . . . . 25.0 113.277 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.3 m -138.58 161.37 30.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 105.804 -1.924 . . . . 25.0 105.804 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.5 t -113.61 143.59 44.31 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.285 -1.376 . . . . 25.0 107.285 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -137.17 168.31 19.86 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.4 ptt85 -76.7 43.89 0.35 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.327 1.603 . . . . 25.0 115.327 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t 38.28 77.22 0.42 Allowed Pre-proline 0 N--CA 1.477 0.893 0 N-CA-C 115.913 1.819 . . . . 25.0 115.913 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -69.35 154.43 69.38 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 116.411 -1.926 . . . . 25.0 111.882 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -64.98 -26.38 68.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -72.51 141.69 48.52 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 119.928 -0.709 . . . . 25.0 110.176 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.45 -148.15 16.69 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 107.167 -2.373 . . . . 25.0 107.167 -171.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -54.84 -34.05 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -175.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -70.05 -42.29 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 O-C-N 120.987 -1.07 . . . . 25.0 110.058 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.43 -34.11 77.22 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.362 -0.836 . . . . 25.0 110.525 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.38 -37.83 51.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 114.1 1.148 . . . . 25.0 114.1 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.9 m -108.51 -11.36 15.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 116.585 2.068 . . . . 25.0 116.585 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 t -113.78 -48.2 2.93 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.028 0.376 . . . . 25.0 111.268 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -77.61 -13.36 59.93 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.346 0.593 . . . . 25.0 109.871 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -144.84 173.75 11.59 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 104.851 -2.278 . . . . 25.0 104.851 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.8 t -93.05 153.41 18.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 106.946 -1.501 . . . . 25.0 106.946 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.2 p -141.68 166.65 24.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.384 -0.599 . . . . 25.0 109.384 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -111.01 162.09 15.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.31 -27.81 68.76 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.94 60.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.238 0.542 . . . . 25.0 109.797 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.99 -42.16 98.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.47 0.652 . . . . 25.0 109.78 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 17' ' ' LEU . 5.7 tt -60.56 -44.45 96.13 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.461 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -58.65 -24.36 61.02 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.767 0.655 . . . . 25.0 112.767 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 p -64.0 -16.19 61.05 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -90.67 0.59 57.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.825 0.345 . . . . 25.0 110.759 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.5 t -74.68 150.78 39.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.78 69.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.511 0.56 . . . . 25.0 112.511 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 p -139.47 158.08 69.26 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -77.14 176.83 9.63 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 117.542 -1.172 . . . . 25.0 112.409 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 115.88 7.98 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -81.31 47.2 1.01 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.768 0.794 . . . . 25.0 111.672 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.3 t -82.36 70.24 9.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.977 0.894 . . . . 25.0 109.959 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 . . . . . 0 C--O 1.304 3.923 0 CA-C-O 113.799 -3.0 . . . . 25.0 110.426 -179.676 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 122.449 1.118 . . . . 25.0 113.855 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -86.97 155.09 20.32 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.248 -0.887 . . . . 25.0 109.902 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -73.12 155.35 90.25 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.26 -30.86 92.2 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 118.484 -0.544 . . . . 25.0 111.981 170.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 m -125.0 91.75 3.5 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.659 -0.7 . . . . 25.0 109.946 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -84.22 -31.16 25.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 p -103.46 158.31 16.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.644 -1.613 . . . . 25.0 106.644 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.1 tp -127.21 111.74 14.31 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.76 147.17 32.62 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 114.406 1.261 . . . . 25.0 114.406 -172.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 -140.86 21.31 Favored Glycine 0 C--O 1.226 -0.394 0 C-N-CA 120.258 -0.972 . . . . 25.0 112.138 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.62 -32.97 85.97 Favored Glycine 0 C--O 1.221 -0.699 0 C-N-CA 120.95 -0.643 . . . . 25.0 114.653 -175.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -66.84 -30.13 70.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.616 0.708 . . . . 25.0 110.798 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -68.28 -41.1 81.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.44 -40.61 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.55 -43.05 99.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 m -63.81 -39.91 95.36 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.33 -39.26 92.47 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -68.45 -38.64 81.32 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.251 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -68.3 -48.95 63.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.89 -29.26 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -172.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.9 m -118.71 -14.93 9.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.454 1.65 . . . . 25.0 115.454 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' C ' ' H ' ' A' ' 24' ' ' ARG . . . 89.17 174.42 46.44 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 107.843 -2.103 . . . . 25.0 107.843 -172.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -70.69 15.22 0.1 Allowed 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 122.316 1.055 . . . . 25.0 112.61 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 22' ' ' GLY . 23.5 mmm180 -71.61 -1.99 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.157 -0.965 . . . . 25.0 112.029 -174.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.16 146.18 12.81 Favored Glycine 0 N--CA 1.453 -0.181 0 CA-C-O 121.468 0.482 . . . . 25.0 113.56 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.68 166.81 32.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -130.18 157.74 41.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.23 5.25 52.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.262 0.553 . . . . 25.0 110.063 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.4 m -137.3 161.78 35.32 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -52.34 -49.56 84.54 Favored Pre-proline 0 N--CA 1.477 0.899 0 N-CA-C 119.446 3.128 . . . . 25.0 119.446 -174.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.33 126.54 15.13 Favored 'Trans proline' 0 CA--C 1.515 -0.451 0 C-N-CA 117.89 -0.94 . . . . 25.0 113.564 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -126.59 4.63 6.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.558 -1.201 . . . . 25.0 112.616 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 t -77.12 49.28 0.66 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.441 0.904 . . . . 25.0 113.441 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 53.87 34.12 18.68 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.935 0.894 . . . . 25.0 112.895 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 m -135.83 146.76 29.02 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -152.84 133.16 13.6 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.088 -1.819 . . . . 25.0 106.088 173.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -93.14 -3.35 54.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 58.52 17.84 5.25 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.674 1.19 . . . . 25.0 113.752 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.06 144.53 67.73 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 108.533 -0.914 . . . . 25.0 108.533 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -68.6 123.31 10.34 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 116.956 -1.563 . . . . 25.0 110.458 175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -144.25 164.64 30.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -84.29 -164.32 0.93 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.463 -1.31 . . . . 25.0 107.463 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.14 -116.49 0.76 Allowed Glycine 0 C--O 1.216 -0.988 0 C-N-CA 120.868 -0.682 . . . . 25.0 113.088 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 tp -49.89 -36.07 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.881 0.848 . . . . 25.0 112.935 -175.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.92 -26.29 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.883 -0.599 . . . . 25.0 111.799 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.04 -34.82 78.53 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 121.467 -0.771 . . . . 25.0 110.388 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -91.66 -38.59 12.34 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.9 m -98.34 -14.75 20.03 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 117.038 2.236 . . . . 25.0 117.038 -172.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.6 t -119.12 -45.51 2.55 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.295 0.498 . . . . 25.0 112.191 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -77.55 -17.69 57.65 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -140.04 -174.77 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.228 -2.508 . . . . 25.0 104.228 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.4 p -108.6 153.47 23.35 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 171.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p -138.19 164.09 30.07 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 -174.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.72 152.65 21.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -64.04 -27.49 69.15 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.436 0.636 . . . . 25.0 109.68 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.28 82.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.413 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.89 -44.64 80.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.43 -43.15 79.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.906 -1.043 . . . . 25.0 110.977 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.67 -26.37 44.34 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -65.52 -16.38 63.62 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.87 1.063 . . . . 25.0 113.87 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -85.42 -2.11 57.76 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.0 m -75.83 161.37 29.06 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.966 -0.459 . . . . 25.0 112.108 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.28 -26.4 58.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.8 p -86.77 154.79 56.0 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.722 -0.672 . . . . 25.0 110.294 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -77.8 179.84 6.12 Favored 'Trans proline' 0 C--O 1.236 0.378 0 O-C-N 122.131 0.542 . . . . 25.0 112.062 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.76 135.64 57.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -92.01 30.78 1.35 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.258 0.551 . . . . 25.0 111.385 -176.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 m -83.09 71.0 10.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.698 0.761 . . . . 25.0 112.804 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 . . . . . 0 C--O 1.295 3.497 0 CA-C-O 115.082 -2.39 . . . . 25.0 112.886 177.876 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.956 0 CA-C-O 122.471 1.129 . . . . 25.0 113.686 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -91.32 160.83 15.3 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.111 -0.949 . . . . 25.0 109.584 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -70.75 147.72 94.51 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 108.118 -1.068 . . . . 25.0 108.118 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.71 -31.17 91.69 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 O-C-N 121.765 0.35 . . . . 25.0 112.775 172.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -128.56 81.84 2.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.477 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -78.26 -8.4 58.33 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 122.018 0.913 . . . . 25.0 109.247 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.6 p -113.42 165.42 12.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.55 -1.205 . . . . 25.0 109.665 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -124.96 121.55 34.76 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.87 -34.33 1.01 Allowed 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.401 1.63 . . . . 25.0 115.401 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.22 -146.73 12.41 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 121.234 -0.507 . . . . 25.0 112.849 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.77 -18.36 63.97 Favored Glycine 0 C--O 1.218 -0.892 0 CA-C-O 122.068 0.816 . . . . 25.0 111.245 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -58.53 -29.92 66.68 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.098 0.959 . . . . 25.0 112.03 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -73.22 -41.08 64.17 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.29 -39.59 85.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -62.13 -45.0 95.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 25.0 110.32 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -61.75 -41.4 97.63 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.104 -0.373 . . . . 25.0 111.949 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.75 -37.86 88.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.123 -0.361 . . . . 25.0 110.899 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -67.96 -41.35 82.55 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -65.77 -47.32 75.58 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 58' ' ' LEU . 7.5 p -69.98 -28.88 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -174.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.1 m -120.78 -18.93 7.52 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 117.411 2.374 . . . . 25.0 117.411 -175.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.01 -134.1 52.49 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-O 123.487 1.604 . . . . 25.0 112.826 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.99 -16.37 29.94 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 111.925 -2.137 . . . . 25.0 114.257 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -63.86 -23.85 67.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.486 0.55 . . . . 25.0 112.486 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.34 169.29 31.95 Favored Glycine 0 C--O 1.229 -0.183 0 N-CA-C 111.823 -0.511 . . . . 25.0 111.823 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 44.0 p90 -157.21 167.88 29.05 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.175 -0.603 . . . . 25.0 112.45 -177.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -129.64 158.18 40.04 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -88.86 -15.61 34.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 p -88.59 148.76 23.92 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -56.69 -53.43 64.68 Favored Pre-proline 0 N--CA 1.474 0.765 0 N-CA-C 115.126 1.528 . . . . 25.0 115.126 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.57 144.28 28.27 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 117.982 -0.879 . . . . 25.0 112.204 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.23 -10.62 59.55 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.921 0.867 . . . . 25.0 109.522 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.3 m -66.13 101.6 0.72 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.415 -0.811 . . . . 25.0 111.075 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -74.67 48.45 0.36 Allowed 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.689 0.996 . . . . 25.0 113.689 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -123.17 24.35 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 122.669 1.223 . . . . 25.0 108.91 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 m -70.69 47.42 0.1 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 115.636 1.717 . . . . 25.0 115.636 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -78.63 34.94 0.23 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.283 0.563 . . . . 25.0 112.151 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -111.88 24.68 12.4 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 123.169 0.588 . . . . 25.0 110.101 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 p 71.7 155.06 0.15 Allowed Pre-proline 0 N--CA 1.478 0.971 0 C-N-CA 125.09 1.356 . . . . 25.0 110.161 -172.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.34 150.88 87.46 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 118.336 -0.643 . . . . 25.0 111.544 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -149.55 172.67 14.63 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.646 -0.502 . . . . 25.0 109.646 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -65.17 167.05 8.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.0 -114.52 0.42 Allowed Glycine 0 C--O 1.219 -0.815 0 N-CA-C 110.882 -0.887 . . . . 25.0 110.882 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.3 tp -46.45 -37.87 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.572 1.323 . . . . 25.0 114.572 -176.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 m -65.81 -26.26 38.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 CA-C-N 116.256 -0.429 . . . . 25.0 112.04 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -67.78 -35.63 79.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.166 -0.959 . . . . 25.0 110.899 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -92.53 -29.57 16.13 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 120.222 -0.591 . . . . 25.0 112.188 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.2 m -101.6 -14.13 17.56 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 116.42 2.008 . . . . 25.0 116.42 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.4 t -117.66 -52.72 2.44 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.584 0.629 . . . . 25.0 111.693 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -72.71 -23.07 60.81 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -130.86 -175.77 3.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 105.274 -2.121 . . . . 25.0 105.274 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.9 p -107.9 153.13 23.48 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 105.373 -2.084 . . . . 25.0 105.373 170.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -134.82 159.33 41.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.213 0.53 . . . . 25.0 112.073 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.75 152.56 21.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.86 -27.66 68.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.991 0.424 . . . . 25.0 110.81 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.09 90.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.337 0.589 . . . . 25.0 111.001 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.31 -43.73 73.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 20' ' ' VAL . 1.5 tt -57.31 -42.52 81.97 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.667 -1.151 . . . . 25.0 111.024 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -55.3 -25.64 35.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.7 p -67.14 -21.05 65.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.342 -0.849 . . . . 25.0 112.943 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -81.06 -7.51 59.57 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.191 0.52 . . . . 25.0 111.849 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 72.9 m -70.2 153.11 43.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.477 0.656 . . . . 25.0 111.279 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.32 -29.47 69.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.415 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.8 p -130.48 149.12 72.56 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -84.04 178.81 5.07 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 121.923 1.748 . . . . 25.0 114.188 -174.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.92 142.05 58.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 9.4 6.32 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.919 0.866 . . . . 25.0 110.603 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 m -97.49 82.95 3.17 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.476 -1.238 . . . . 25.0 108.281 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 C--O 1.303 3.901 0 CA-C-O 115.733 -2.08 . . . . 25.0 112.733 -175.139 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 122.773 1.273 . . . . 25.0 114.189 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -102.08 165.34 11.21 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -71.15 140.21 85.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 107.977 -1.12 . . . . 25.0 107.977 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.34 -27.07 84.03 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 120.558 0.839 . . . . 25.0 112.722 174.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -145.45 106.38 4.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 105.656 -1.979 . . . . 25.0 105.656 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.88 -15.62 55.82 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.603 0.716 . . . . 25.0 109.758 -176.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.3 p -130.25 158.38 39.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 171.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -135.54 130.93 35.35 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 -178.02 3.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.831 0.348 . . . . 25.0 111.271 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.85 92.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 118.66 2.224 . . . . 25.0 118.66 -171.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.26 -64.34 0.5 Allowed Glycine 0 C--O 1.222 -0.613 0 N-CA-C 109.14 -1.584 . . . . 25.0 109.14 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -67.18 -30.3 70.22 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 122.044 -0.68 . . . . 25.0 109.782 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.06 -35.33 80.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.104 -0.498 . . . . 25.0 111.372 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.97 -40.91 87.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.21 -43.49 98.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -63.22 -40.6 97.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.93 -39.97 95.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.356 . . . . 25.0 111.285 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -66.14 -41.91 89.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -68.41 -45.33 72.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.59 -23.96 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 -172.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.9 t -119.94 -43.78 2.54 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 115.581 1.697 . . . . 25.0 115.581 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.79 -156.9 15.72 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-O 122.962 1.312 . . . . 25.0 112.675 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -79.26 -2.59 41.95 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.544 -1.328 . . . . 25.0 113.704 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -70.12 -4.61 22.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 114.835 1.42 . . . . 25.0 114.835 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.93 157.8 28.18 Favored Glycine 0 C--O 1.22 -0.744 0 N-CA-C 111.739 -0.544 . . . . 25.0 111.739 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -154.27 168.07 27.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 -176.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -119.76 155.9 31.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.1 7.08 47.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.934 0.873 . . . . 25.0 109.534 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' HA3' ' A' ' 43' ' ' GLY . 31.3 p -146.1 157.38 43.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.97 -1.493 . . . . 25.0 106.97 -177.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -59.86 -51.11 83.1 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.41 147.4 82.65 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 117.923 -0.918 . . . . 25.0 111.149 171.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.96 -23.44 67.41 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t 47.47 62.91 2.2 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.324 0.861 . . . . 25.0 113.324 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -73.38 53.75 0.41 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.945 0.898 . . . . 25.0 113.366 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.9 m -139.79 159.22 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 106.432 -1.692 . . . . 25.0 106.432 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 p -110.6 29.64 7.54 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.531 0.681 . . . . 25.0 111.352 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 -69.9 142.05 53.05 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -69.8 -19.1 63.5 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -82.46 113.91 47.8 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 110.561 -0.163 . . . . 25.0 110.561 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -77.82 171.8 16.74 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 117.785 -1.01 . . . . 25.0 112.14 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -126.08 169.76 12.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -82.58 179.09 7.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.609 -0.268 . . . . 25.0 110.367 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 29' ' ' SER . . . 149.48 -101.33 0.22 Allowed Glycine 0 C--O 1.224 -0.471 0 CA-C-O 119.907 -0.385 . . . . 25.0 112.4 -178.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 tp -55.11 -36.29 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 121.118 0.485 . . . . 25.0 111.399 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -70.39 -26.1 28.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 O-C-N 121.635 -0.666 . . . . 25.0 112.081 -176.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -72.16 -34.02 68.17 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.156 -0.965 . . . . 25.0 109.164 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -89.23 -32.09 17.58 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.859 -0.609 . . . . 25.0 112.267 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.6 m -108.78 -11.69 15.01 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 117.56 2.43 . . . . 25.0 117.56 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -114.35 -52.78 2.7 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.174 0.897 . . . . 25.0 110.674 176.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -72.76 -27.01 61.76 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -123.1 172.07 8.83 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 105.296 -2.112 . . . . 25.0 105.296 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 p -96.55 146.43 24.82 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 105.508 -2.034 . . . . 25.0 105.508 168.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -128.91 162.69 26.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 118.062 0.392 . . . . 25.0 110.776 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -89.88 152.0 21.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.371 -1.714 . . . . 25.0 106.371 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.53 -28.39 69.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.072 0.463 . . . . 25.0 109.948 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.78 -46.08 86.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.986 -0.552 . . . . 25.0 109.989 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.87 -43.23 84.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.66 0.743 . . . . 25.0 109.828 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.48 -44.15 84.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.33 -0.85 . . . . 25.0 111.607 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.97 -30.56 59.33 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 112.894 0.702 . . . . 25.0 112.894 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.4 p -63.67 -19.1 64.63 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.958 1.096 . . . . 25.0 113.958 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -76.07 -5.98 48.99 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 t -67.88 147.94 51.83 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.28 77.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.225 0.536 . . . . 25.0 111.623 -175.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p -142.62 157.08 62.81 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 104.785 -2.302 . . . . 25.0 104.785 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.39 178.8 6.86 Favored 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 117.346 -1.303 . . . . 25.0 112.577 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.23 142.49 51.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.809 -0.632 . . . . 25.0 109.668 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -82.95 27.13 0.56 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.389 0.514 . . . . 25.0 112.389 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.3 t -88.37 77.68 8.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.963 0.887 . . . . 25.0 110.946 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--O 1.301 3.8 0 CA-C-O 113.041 -3.361 . . . . 25.0 110.998 178.583 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 123.016 1.389 . . . . 25.0 113.958 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -104.1 153.9 20.35 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.419 -0.81 . . . . 25.0 109.26 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.69 119.33 75.15 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 106.475 -1.676 . . . . 25.0 106.475 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.48 -34.93 99.16 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 N-CA-C 115.913 1.466 . . . . 25.0 115.913 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -135.23 52.46 2.03 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.677 0.751 . . . . 25.0 111.807 -175.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' HG2' ' H ' ' A' ' 6' ' ' GLU . 13.2 pt-20 -72.81 -17.17 61.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.46 134.52 33.68 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 177.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.5 mt -122.36 125.96 47.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.112 -0.494 . . . . 25.0 110.006 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.64 165.9 26.13 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.669 -0.493 . . . . 25.0 109.669 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.16 -144.78 44.86 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.063 -0.589 . . . . 25.0 113.198 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.88 71.75 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 121.097 -0.573 . . . . 25.0 113.354 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -64.55 -38.35 90.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.705 0.753 . . . . 25.0 109.905 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 tp -66.2 -43.18 87.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.821 -0.627 . . . . 25.0 109.428 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.02 -42.92 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.249 -0.278 . . . . 25.0 110.249 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -60.56 -35.68 76.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.765 0.317 . . . . 25.0 110.235 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.2 m -72.98 -39.6 65.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.599 -0.44 . . . . 25.0 111.118 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.71 -38.17 89.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.041 0.448 . . . . 25.0 109.968 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -67.77 -39.1 84.15 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.246 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -65.49 -47.33 76.41 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.02 -25.98 26.69 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 88.3 m -103.8 -22.91 13.46 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 116.529 2.048 . . . . 25.0 116.529 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.46 -139.3 47.17 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-O 123.711 1.728 . . . . 25.0 111.341 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.89 -7.95 25.61 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 112.193 -2.004 . . . . 25.0 115.436 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -94.05 -9.55 36.38 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.186 1.55 . . . . 25.0 115.186 -174.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.51 178.24 51.88 Favored Glycine 0 C--N 1.322 -0.246 0 CA-C-O 122.305 0.947 . . . . 25.0 114.883 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -152.63 168.89 24.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.915 -0.643 . . . . 25.0 110.038 -174.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -127.12 133.6 50.36 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.979 -0.749 . . . . 25.0 108.979 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.95 -15.12 63.47 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.803 -0.561 . . . . 25.0 111.926 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.1 m -126.1 22.99 7.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 67.65 156.25 0.14 Allowed Pre-proline 0 N--CA 1.489 1.502 0 C-N-CA 125.328 1.451 . . . . 25.0 110.755 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -63.48 139.44 70.62 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 117.216 -1.389 . . . . 25.0 113.455 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.53 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.075 0.464 . . . . 25.0 109.998 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t 53.27 -149.03 0.42 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.318 -0.856 . . . . 25.0 110.182 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -135.95 42.55 2.61 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.48 167.7 24.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 105.611 -1.996 . . . . 25.0 105.611 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.8 t -144.04 148.43 35.2 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.233 -1.025 . . . . 25.0 108.233 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -137.6 166.48 23.81 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 105.436 -2.061 . . . . 25.0 105.436 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -109.44 27.54 9.44 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.267 0.556 . . . . 25.0 110.678 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -88.89 139.46 29.17 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.711 -0.677 . . . . 25.0 109.449 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -69.78 151.38 68.94 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 116.048 -2.168 . . . . 25.0 110.356 172.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -152.83 166.92 30.76 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.759 0.314 . . . . 25.0 110.831 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -138.17 -179.07 5.56 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 106.487 -1.671 . . . . 25.0 106.487 177.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.55 167.87 30.22 Favored Glycine 0 C--O 1.238 0.349 0 N-CA-C 109.91 -1.276 . . . . 25.0 109.91 175.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 tp -58.11 -37.39 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.387 0.514 . . . . 25.0 112.387 -174.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.5 -35.29 74.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.747 -0.596 . . . . 25.0 111.02 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -73.04 -33.89 65.98 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 118.754 -1.179 . . . . 25.0 110.974 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.95 -28.46 22.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 87.7 m -107.15 -14.7 14.85 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 116.504 2.039 . . . . 25.0 116.504 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.4 t -112.57 -50.69 2.88 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.05 0.841 . . . . 25.0 111.402 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -74.08 -15.46 61.06 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.081 0.467 . . . . 25.0 110.51 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -142.44 166.09 25.61 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 104.111 -2.552 . . . . 25.0 104.111 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 p -84.33 152.93 23.8 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.4 p -137.67 -178.81 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -128.75 160.33 32.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.17 -30.9 62.87 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.58 91.34 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.248 0.547 . . . . 25.0 111.253 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.36 -40.82 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 25.0 109.208 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.58 -42.3 96.39 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.297 -0.865 . . . . 25.0 110.858 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -58.13 -22.14 49.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.145 0.795 . . . . 25.0 113.145 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.3 p -68.21 -16.38 63.95 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.239 -0.913 . . . . 25.0 112.512 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -87.54 -6.39 58.36 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.696 0.398 . . . . 25.0 111.748 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.1 154.14 38.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.201 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.99 -36.62 78.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 p -134.96 157.21 77.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.37 . . . . 25.0 111.031 -177.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -81.65 176.5 8.43 Favored 'Trans proline' 0 C--N 1.346 0.413 0 O-C-N 122.229 0.594 . . . . 25.0 112.3 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.76 148.77 32.86 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.206 -0.907 . . . . 25.0 110.086 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -142.17 116.73 9.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.158 -1.052 . . . . 25.0 108.158 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.5 t -141.04 116.67 10.25 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 . . . . . 0 C--O 1.291 3.281 0 CA-C-O 114.097 -2.859 . . . . 25.0 110.437 -179.521 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 123.573 1.654 . . . . 25.0 114.695 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -77.25 152.71 34.54 Favored 'General case' 0 C--O 1.225 -0.206 0 O-C-N 121.104 -0.997 . . . . 25.0 109.375 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.91 148.68 79.28 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 105.106 -2.183 . . . . 25.0 105.106 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -53.04 -53.46 6.73 Favored 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 116.467 1.68 . . . . 25.0 116.467 -173.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -156.3 36.9 0.33 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.825 0.822 . . . . 25.0 111.596 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -77.87 -34.08 51.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.397 -0.819 . . . . 25.0 109.095 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.6 p -122.81 140.32 53.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.946 -1.024 . . . . 25.0 109.089 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -129.32 125.03 35.82 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -127.31 -168.98 1.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.634 -0.506 . . . . 25.0 109.634 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.81 134.52 1.98 Allowed Glycine 0 CA--C 1.521 0.427 0 N-CA-C 115.747 1.059 . . . . 25.0 115.747 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.48 -69.09 3.43 Favored Glycine 0 C--O 1.226 -0.39 0 O-C-N 122.645 -0.327 . . . . 25.0 112.451 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -62.73 -39.56 94.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.365 0.603 . . . . 25.0 111.863 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.4 tp -63.73 -41.6 98.02 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.034 -0.53 . . . . 25.0 109.809 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.0 -42.82 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.36 -34.57 75.53 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 120.963 0.411 . . . . 25.0 110.449 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 m -73.75 -40.16 63.69 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.034 -0.416 . . . . 25.0 111.506 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.65 -39.43 93.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -66.89 -36.48 82.37 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.593 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -67.94 -50.23 57.13 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.9 -27.87 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 122.114 -0.366 . . . . 25.0 111.952 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.7 m -97.48 -22.43 16.57 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.908 1.077 . . . . 25.0 113.908 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.77 -136.15 41.27 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 108.68 -1.768 . . . . 25.0 108.68 -172.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.79 7.66 4.49 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 112.66 -1.77 . . . . 25.0 113.784 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -93.89 -13.59 27.0 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.34 1.978 . . . . 25.0 116.34 -174.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.67 173.46 45.09 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.449 -0.881 . . . . 25.0 113.832 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -160.34 171.89 18.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -125.64 152.27 45.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.925 -0.768 . . . . 25.0 108.925 177.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.38 -12.1 41.34 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.117 0.484 . . . . 25.0 110.783 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 p -129.41 162.08 28.88 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -60.11 -53.3 66.4 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 114.108 1.151 . . . . 25.0 114.108 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.42 128.68 18.7 Favored 'Trans proline' 0 CA--C 1.516 -0.419 0 C-N-CA 116.415 -1.923 . . . . 25.0 111.368 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.41 -41.12 41.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.513 -1.222 . . . . 25.0 110.265 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 t 57.83 -164.74 0.17 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.738 -1.119 . . . . 25.0 109.991 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -145.82 23.03 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.566 0.698 . . . . 25.0 110.937 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.77 162.41 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 105.148 -2.167 . . . . 25.0 105.148 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.9 t -123.79 155.47 37.89 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.249 -1.76 . . . . 25.0 106.249 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -135.25 155.22 51.02 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.617 -1.253 . . . . 25.0 107.617 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -77.99 -16.07 58.42 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 121.206 0.527 . . . . 25.0 109.847 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 m -76.06 144.31 75.33 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -71.66 169.5 20.9 Favored 'Trans proline' 0 C--N 1.345 0.382 0 O-C-N 122.074 0.512 . . . . 25.0 113.006 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -121.24 165.73 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -117.71 159.74 22.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.5 -90.61 0.18 Allowed Glycine 0 C--O 1.228 -0.281 0 C-N-CA 121.56 -0.352 . . . . 25.0 112.772 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.7 tp -59.75 -37.7 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 122.343 -0.504 . . . . 25.0 111.032 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.98 -33.61 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 121.842 -0.536 . . . . 25.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -73.04 -33.89 65.97 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.633 0.73 . . . . 25.0 109.463 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HG2' HD21 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -78.63 -38.64 39.23 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.949 179.02 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.7 m -104.88 -19.72 13.79 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 117.313 2.338 . . . . 25.0 117.313 -172.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.3 t -104.89 -50.03 3.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.642 1.11 . . . . 25.0 110.991 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -73.94 -21.91 59.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.088 0.47 . . . . 25.0 110.434 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -138.7 171.8 13.81 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 105.865 -1.902 . . . . 25.0 105.865 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -88.52 155.07 19.86 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.2 p -143.92 161.82 37.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -101.59 156.7 17.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.63 -30.41 68.69 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.638 0.256 . . . . 25.0 111.355 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -46.65 76.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.298 0.571 . . . . 25.0 110.133 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.525 HD21 ' HG2' ' A' ' 47' ' ' GLU . 6.9 tt -66.35 -40.18 89.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.14 -43.74 95.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.291 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.06 -21.17 58.73 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 p -67.56 -16.22 64.07 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.251 -0.906 . . . . 25.0 112.621 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -92.13 1.82 56.97 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.864 0.364 . . . . 25.0 111.414 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -74.37 157.11 36.27 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.89 73.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.716 0.293 . . . . 25.0 111.709 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -144.13 158.04 55.95 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -77.09 178.74 7.27 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 118.535 -0.51 . . . . 25.0 112.751 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.62 137.18 58.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 177.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -83.45 45.52 1.06 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.5 t -147.9 117.99 7.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 . . . . . 0 C--O 1.292 3.34 0 CA-C-O 112.992 -3.385 . . . . 25.0 114.65 -178.549 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 123.316 1.532 . . . . 25.0 113.992 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -81.09 154.96 26.52 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.298 -0.864 . . . . 25.0 108.822 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -94.59 147.59 33.47 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 108.848 -0.797 . . . . 25.0 108.848 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -59.74 -25.81 80.29 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 121.655 1.57 . . . . 25.0 115.232 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -150.28 120.76 7.41 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 104.726 -2.324 . . . . 25.0 104.726 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -112.33 12.42 20.21 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.344 -1.298 . . . . 25.0 109.893 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.9 p -128.76 163.98 23.98 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.26 -1.791 . . . . 25.0 107.793 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -128.76 128.2 43.52 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.98 164.85 31.63 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.35 -144.78 48.78 Favored Glycine 0 CA--C 1.516 0.117 0 C-N-CA 120.621 -0.799 . . . . 25.0 112.319 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.12 -23.58 73.06 Favored Glycine 0 C--O 1.217 -0.91 0 C-N-CA 121.112 -0.566 . . . . 25.0 113.739 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -65.77 -33.94 77.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.968 0.884 . . . . 25.0 110.422 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.1 tp -67.73 -41.42 83.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.01 -42.08 94.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -58.57 -43.23 89.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.291 0.567 . . . . 25.0 110.278 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -65.92 -40.34 91.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.978 -0.451 . . . . 25.0 111.878 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.12 -38.81 92.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.128 0.49 . . . . 25.0 109.745 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -68.82 -37.53 79.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.669 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -66.55 -49.12 67.5 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.56 -34.46 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 112.424 0.527 . . . . 25.0 112.424 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -158.9 29.95 0.22 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 115.555 1.687 . . . . 25.0 115.555 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.59 -33.49 77.3 Favored Glycine 0 C--O 1.224 -0.483 0 C-N-CA 120.732 -0.747 . . . . 25.0 113.805 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.18 -35.67 73.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.439 0.638 . . . . 25.0 111.593 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -93.99 -9.6 36.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.894 -0.594 . . . . 25.0 111.744 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.42 160.35 27.49 Favored Glycine 0 C--N 1.321 -0.264 0 N-CA-C 111.705 -0.558 . . . . 25.0 111.705 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -152.24 163.25 39.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.203 -0.587 . . . . 25.0 110.046 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -131.5 132.22 44.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.238 0.542 . . . . 25.0 109.694 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -15.36 62.93 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.3 m -115.5 24.85 11.26 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.411 0.523 . . . . 25.0 112.411 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 68.75 165.37 0.13 Allowed Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 124.99 1.316 . . . . 25.0 109.137 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -83.92 176.62 6.69 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 118.464 -0.557 . . . . 25.0 113.416 -167.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.05 -12.74 40.46 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.397 0.617 . . . . 25.0 110.449 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m -55.57 94.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 116.756 2.132 . . . . 25.0 116.756 -172.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 60.74 16.41 6.69 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.567 1.147 . . . . 25.0 112.861 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.69 74.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 122.517 1.151 . . . . 25.0 111.326 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 88.42 0.83 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.716 -1.129 . . . . 25.0 111.13 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -84.43 141.04 31.1 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -69.28 -38.28 78.26 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.372 -1.344 . . . . 25.0 107.372 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.9 p -154.49 148.0 18.54 Favored Pre-proline 0 C--O 1.243 0.746 0 N-CA-C 105.118 -2.179 . . . . 25.0 105.118 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.45 139.07 33.85 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 116.469 -1.887 . . . . 25.0 110.133 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -74.02 -36.99 64.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.516 0.674 . . . . 25.0 109.422 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.93 170.15 21.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.199 -0.909 . . . . 25.0 109.38 -174.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.16 178.64 16.5 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 109.431 -1.468 . . . . 25.0 109.431 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.13 -32.33 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.501 0.72 . . . . 25.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.0 t -62.88 -33.48 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.273 -0.421 . . . . 25.0 111.54 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -36.74 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.66 -0.65 . . . . 25.0 111.72 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.52 -26.92 16.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.01 0.745 . . . . 25.0 113.01 -175.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.0 m -103.13 -16.5 15.73 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 115.645 1.72 . . . . 25.0 115.645 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.3 t -116.36 -49.19 2.68 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.957 0.799 . . . . 25.0 111.799 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -77.76 -12.72 60.0 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.508 0.671 . . . . 25.0 110.021 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -140.12 -175.3 4.19 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.3 p -109.05 147.01 33.04 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.51 165.1 26.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 25.0 110.444 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -111.8 162.88 14.79 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.5 -27.33 67.52 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.84 61.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.306 0.574 . . . . 25.0 110.289 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.98 -38.69 91.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.708 0.765 . . . . 25.0 109.127 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.14 -43.67 98.33 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.299 -0.864 . . . . 25.0 110.471 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -57.69 -23.82 53.57 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.366 0.603 . . . . 25.0 112.43 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.1 p -67.91 -16.43 64.07 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.052 -1.03 . . . . 25.0 113.148 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -85.73 -5.96 59.19 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.692 0.282 . . . . 25.0 111.513 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.87 161.72 30.51 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.57 75.88 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.477 0.656 . . . . 25.0 110.52 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 p -112.14 156.46 41.9 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -79.06 176.92 9.27 Favored 'Trans proline' 0 C--O 1.237 0.461 0 O-C-N 122.328 0.646 . . . . 25.0 112.061 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.87 137.1 58.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.971 -1.013 . . . . 25.0 111.524 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.66 13.58 34.5 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.579 0.704 . . . . 25.0 110.815 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 t -80.55 77.97 7.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.421 1.105 . . . . 25.0 110.145 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 C--O 1.294 3.423 0 CA-C-O 113.935 -2.936 . . . . 25.0 110.583 -179.195 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 122.405 1.098 . . . . 25.0 113.824 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -89.68 162.66 15.48 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.144 -0.934 . . . . 25.0 109.403 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -73.61 153.0 89.62 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -60.1 -27.68 85.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 O-C-N 121.929 0.436 . . . . 25.0 112.046 170.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -135.76 98.63 3.96 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -86.13 -16.08 39.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.807 0.813 . . . . 25.0 108.936 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.8 p -105.68 153.77 21.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.52 -1.289 . . . . 25.0 107.52 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -137.99 123.52 19.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.36 113.39 8.31 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.871 0.693 . . . . 25.0 112.871 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.37 -142.66 16.32 Favored Glycine 0 C--O 1.227 -0.32 0 C-N-CA 121.136 -0.554 . . . . 25.0 112.611 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.78 -27.48 72.75 Favored Glycine 0 C--O 1.219 -0.819 0 C-N-CA 120.963 -0.637 . . . . 25.0 112.498 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.33 -29.49 70.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.22 0.533 . . . . 25.0 111.156 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 tp -70.29 -40.43 74.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.99 -41.34 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.561 -0.533 . . . . 25.0 109.561 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.79 -48.66 80.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.183 0.516 . . . . 25.0 109.836 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -59.62 -41.69 90.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.262 -0.427 . . . . 25.0 111.665 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.77 -40.62 97.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.396 0.141 . . . . 25.0 111.06 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -66.54 -40.89 89.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.81 -52.69 48.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.262 0.838 . . . . 25.0 113.262 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG11 HD22 ' A' ' 58' ' ' LEU . 9.2 p -69.95 -30.11 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -174.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 t -97.6 -47.41 5.65 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.577 0.954 . . . . 25.0 113.577 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.32 174.97 37.44 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.743 -1.343 . . . . 25.0 109.743 -173.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.35 8.89 0.13 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 117.608 2.447 . . . . 25.0 117.608 -173.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -8.47 57.46 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.281 -0.887 . . . . 25.0 110.633 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.73 168.55 44.62 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-O 121.566 0.536 . . . . 25.0 113.028 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -154.42 164.76 38.14 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -114.18 140.21 48.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.1 -5.53 59.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.054 0.454 . . . . 25.0 111.217 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' HA3' ' A' ' 43' ' ' GLY . 57.1 m -138.53 150.78 46.72 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -62.22 -54.25 51.27 Favored Pre-proline 0 N--CA 1.473 0.699 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.84 128.58 10.94 Favored 'Trans proline' 0 CA--C 1.515 -0.466 0 C-N-CA 116.458 -1.895 . . . . 25.0 112.845 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.36 -24.93 34.25 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.576 -1.193 . . . . 25.0 109.37 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t 57.2 -155.2 0.33 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.996 -1.002 . . . . 25.0 108.677 -175.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -127.0 18.72 7.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.213 0.53 . . . . 25.0 109.674 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 m -133.64 128.71 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.826 -1.176 . . . . 25.0 107.826 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.4 t -81.68 89.69 6.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.49 0.662 . . . . 25.0 111.226 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.435 ' C ' ' H ' ' A' ' 39' ' ' SER . 27.6 mtp180 -83.08 110.17 17.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.753 -0.462 . . . . 25.0 109.753 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -77.53 22.62 0.24 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.62 0.724 . . . . 25.0 111.037 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 37' ' ' ARG . 33.7 t -147.14 88.65 5.78 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 107.044 -1.465 . . . . 25.0 107.044 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -77.26 174.07 13.34 Favored 'Trans proline' 0 C--N 1.345 0.376 0 O-C-N 121.936 0.44 . . . . 25.0 111.349 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -121.67 -45.85 2.27 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 120.983 0.42 . . . . 25.0 110.539 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -148.51 166.35 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 25.0 110.079 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 29' ' ' SER . . . 139.5 -119.28 1.65 Allowed Glycine 0 C--O 1.218 -0.859 0 N-CA-C 110.104 -1.199 . . . . 25.0 110.104 -176.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 tp -56.28 -33.47 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.199 0.523 . . . . 25.0 111.01 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.8 -32.87 59.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 122.135 -0.353 . . . . 25.0 111.636 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.99 -34.07 66.2 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 118.884 -1.126 . . . . 25.0 108.805 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -75.14 -40.15 59.91 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.599 -0.728 . . . . 25.0 112.919 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.7 m -106.34 -9.5 16.75 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 -172.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.0 t -119.95 -44.98 2.49 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.463 0.574 . . . . 25.0 111.566 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -80.42 -13.26 59.28 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -144.43 178.23 8.09 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 p -99.07 153.44 18.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.533 -1.284 . . . . 25.0 107.533 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.0 p -139.62 165.06 28.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.872 0.368 . . . . 25.0 110.34 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.58 159.81 18.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.1 -30.6 68.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.3 0.482 . . . . 25.0 112.3 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.4 87.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.309 0.576 . . . . 25.0 110.474 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.54 -40.83 80.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.736 0.779 . . . . 25.0 108.921 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD22 HG11 ' A' ' 20' ' ' VAL . 1.6 tt -59.48 -44.07 93.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.058 -0.974 . . . . 25.0 111.036 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.41 -31.2 54.59 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.128 0.489 . . . . 25.0 112.219 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.7 p -63.12 -16.12 58.98 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.766 1.025 . . . . 25.0 113.766 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -84.91 -0.38 53.94 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.579 0.585 . . . . 25.0 112.579 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.6 m -56.79 157.13 5.76 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.411 0.624 . . . . 25.0 111.646 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.12 -27.14 61.52 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.131 0.491 . . . . 25.0 110.035 177.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 p -82.85 154.94 68.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 174.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -75.55 177.05 9.18 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 CA-C-O 121.566 0.569 . . . . 25.0 112.609 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.99 148.5 43.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.195 -0.911 . . . . 25.0 109.54 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -77.77 27.43 0.17 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.706 0.632 . . . . 25.0 112.706 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m -80.87 68.26 7.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.628 0.727 . . . . 25.0 111.719 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 . . . . . 1 C--O 1.307 4.115 0 CA-C-O 114.283 -2.77 . . . . 25.0 111.926 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.929 0 CA-C-O 122.871 1.32 . . . . 25.0 114.097 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -108.6 164.31 12.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.091 -0.959 . . . . 25.0 109.035 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -66.6 147.37 99.01 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 106.314 -1.736 . . . . 25.0 106.314 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.13 -27.68 75.44 Favored 'Trans proline' 0 C--N 1.347 0.496 0 O-C-N 122.338 0.651 . . . . 25.0 112.223 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 p -136.32 101.05 4.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 122.062 0.934 . . . . 25.0 109.63 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -83.41 -22.03 32.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.891 -1.05 . . . . 25.0 109.081 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.1 p -136.01 162.59 32.44 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 173.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 mt -126.1 121.56 33.25 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -160.62 -177.71 6.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.412 -1.329 . . . . 25.0 107.412 -177.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.61 82.97 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 115.112 0.805 . . . . 25.0 115.112 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.03 -29.98 7.54 Favored Glycine 0 C--O 1.225 -0.453 0 CA-C-O 119.264 -0.742 . . . . 25.0 113.614 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.11 -33.34 74.27 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 118.429 1.115 . . . . 25.0 109.216 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.63 -41.45 90.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.762 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.62 -38.49 76.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -47.25 84.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 175.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.9 m -63.18 -40.38 97.36 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -63.41 -37.65 88.09 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.01 -0.431 . . . . 25.0 110.244 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -68.41 -37.89 80.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.567 0.222 . . . . 25.0 110.601 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.35 -50.88 63.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.789 0.328 . . . . 25.0 111.832 177.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG11 HD22 ' A' ' 58' ' ' LEU . 9.1 p -75.73 -29.02 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 113.517 0.932 . . . . 25.0 113.517 -174.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -158.81 27.59 0.22 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.09 -50.28 69.13 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.227 -0.987 . . . . 25.0 115.367 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.2 -35.24 78.28 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 122.034 0.921 . . . . 25.0 111.151 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -83.35 -3.74 57.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.21 -0.905 . . . . 25.0 112.275 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.97 155.03 7.4 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 121.376 0.431 . . . . 25.0 112.58 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -155.58 164.34 38.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -126.59 159.01 34.75 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.33 5.79 49.28 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.643 0.735 . . . . 25.0 110.245 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 p -138.11 163.96 30.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 105.975 -1.861 . . . . 25.0 105.975 -178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -75.26 -54.47 2.47 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 119.798 -0.761 . . . . 25.0 112.908 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.62 138.31 23.86 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 118.413 -0.591 . . . . 25.0 112.005 175.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.88 -36.36 9.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.419 -0.81 . . . . 25.0 109.496 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t 59.55 -165.5 0.2 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.961 -1.018 . . . . 25.0 110.005 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -153.44 39.32 0.5 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.296 0.57 . . . . 25.0 110.779 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 m -141.93 141.18 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 106.464 -1.68 . . . . 25.0 106.464 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.3 t -81.57 71.37 8.58 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.682 0.754 . . . . 25.0 112.493 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -81.71 174.61 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -76.86 50.14 0.69 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.807 0.843 . . . . 25.0 112.715 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 p 74.54 150.78 0.13 Allowed Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.578 1.951 . . . . 25.0 112.561 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -79.0 171.86 15.79 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 120.135 0.557 . . . . 25.0 113.002 -178.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -73.59 170.75 14.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.28 168.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.578 0.704 . . . . 25.0 111.402 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.84 -67.62 0.03 OUTLIER Glycine 0 C--O 1.227 -0.333 0 CA-C-N 115.422 -0.808 . . . . 25.0 111.903 174.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 tp -66.76 -34.74 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.338 -0.616 . . . . 25.0 109.338 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.23 -39.38 85.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 CA-C-O 121.845 0.831 . . . . 25.0 109.862 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -72.84 -34.03 66.53 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.684 -0.635 . . . . 25.0 111.712 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.55 -32.41 28.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 178.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.1 m -110.84 -14.98 13.9 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 116.423 2.008 . . . . 25.0 116.423 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 45.9 t -112.36 -49.49 2.96 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.204 0.911 . . . . 25.0 110.687 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -77.27 -14.04 59.83 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.133 0.492 . . . . 25.0 110.178 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -139.58 176.59 8.59 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.679 -1.6 . . . . 25.0 106.679 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.5 p -96.93 147.2 24.22 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.7 p -142.6 177.99 7.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.888 -0.782 . . . . 25.0 108.888 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -133.55 162.56 31.58 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -56.02 -30.98 62.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.295 0.85 . . . . 25.0 113.295 -175.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.52 80.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.948 0.404 . . . . 25.0 110.739 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 tt -69.27 -41.03 77.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.897 0.856 . . . . 25.0 109.562 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.46 HD22 HG11 ' A' ' 20' ' ' VAL . 1.9 tt -58.23 -43.27 87.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.237 -0.892 . . . . 25.0 110.674 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.39 -19.92 57.67 Favored 'General case' 0 C--O 1.199 -1.592 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.8 p -65.58 -16.71 63.97 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -89.23 1.94 54.98 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.067 0.461 . . . . 25.0 111.885 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.4 t -65.49 154.41 38.63 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.57 -35.4 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.738 0.304 . . . . 25.0 111.158 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.4 p -71.3 150.99 94.35 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -77.91 175.25 11.41 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 N-CA-C 114.243 0.824 . . . . 25.0 114.243 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.83 51.18 1.08 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.746 -1.116 . . . . 25.0 112.962 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.6 tttt 56.2 27.31 11.47 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.855 0.862 . . . . 25.0 112.636 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.0 t -158.17 141.52 15.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 105.419 -2.067 . . . . 25.0 105.419 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 . . . . . 0 C--O 1.303 3.918 0 CA-C-O 115.362 -2.256 . . . . 25.0 113.849 -179.641 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.788 0 CA-C-O 123.317 1.532 . . . . 25.0 114.157 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -70.57 145.68 50.61 Favored 'General case' 0 N--CA 1.458 -0.058 0 O-C-N 121.063 -1.023 . . . . 25.0 109.53 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.02 145.29 93.24 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.628 -0.26 . . . . 25.0 111.44 -178.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -64.97 -43.26 12.21 Favored 'Trans proline' 0 C--O 1.221 -0.373 0 C-N-CA 120.389 0.726 . . . . 25.0 111.194 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -175.85 117.48 0.14 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.311 -0.859 . . . . 25.0 108.692 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -142.95 -77.09 0.25 Allowed 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 172.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.4 p -96.23 143.34 27.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.234 -0.439 . . . . 25.0 111.313 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 mt -141.82 129.62 21.72 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.0 m -142.75 161.94 36.78 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.822 0.344 . . . . 25.0 110.609 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.4 -144.81 48.81 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.989 -0.624 . . . . 25.0 112.567 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.77 -23.72 70.94 Favored Glycine 0 C--O 1.212 -1.244 0 C-N-CA 121.169 -0.539 . . . . 25.0 113.311 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.41 -33.69 76.54 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 117.93 0.865 . . . . 25.0 110.612 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 tp -66.93 -42.49 85.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.22 -41.62 92.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -46.43 84.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.146 0.498 . . . . 25.0 110.1 177.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -62.75 -40.75 98.21 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.561 -0.456 . . . . 25.0 111.993 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -65.12 -38.68 91.43 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.117 -0.364 . . . . 25.0 110.479 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -67.0 -35.9 80.97 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -69.03 -50.85 44.99 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG11 HD22 ' A' ' 58' ' ' LEU . 9.8 p -76.27 -30.22 19.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 113.256 0.836 . . . . 25.0 113.256 -173.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.6 m -102.54 -17.48 15.73 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.157 0.799 . . . . 25.0 113.157 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.4 178.4 49.67 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 109.585 -1.406 . . . . 25.0 109.585 -174.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -70.32 10.11 0.5 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.585 -0.808 . . . . 25.0 112.113 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -82.89 -9.9 59.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.865 -0.522 . . . . 25.0 111.187 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.89 161.58 25.71 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-O 122.558 1.088 . . . . 25.0 114.911 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -157.41 166.11 33.92 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.817 -1.92 . . . . 25.0 105.817 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -115.95 144.4 44.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.7 4.83 42.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.679 0.752 . . . . 25.0 110.06 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -145.04 -176.97 5.3 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 105.594 -2.002 . . . . 25.0 105.594 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -80.35 -53.07 0.92 Allowed Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 115.353 1.612 . . . . 25.0 115.353 176.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.83 144.43 96.84 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 CA-C-N 118.242 0.408 . . . . 25.0 111.655 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.48 -20.52 64.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 25.0 112.134 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 m 47.08 46.5 16.14 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.638 1.347 . . . . 25.0 114.638 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -79.2 50.39 1.06 Allowed 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.443 0.64 . . . . 25.0 111.354 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.89 136.33 26.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 105.723 -1.954 . . . . 25.0 105.723 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 t -78.67 101.21 7.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.161 0.505 . . . . 25.0 110.055 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -128.81 137.47 51.53 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 106.682 -1.599 . . . . 25.0 106.682 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -83.83 23.24 1.02 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.916 0.71 . . . . 25.0 112.916 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.6 t -147.08 96.72 4.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -77.39 157.41 32.94 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 118.085 -0.81 . . . . 25.0 112.628 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -87.36 159.76 18.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.979 -0.749 . . . . 25.0 108.979 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -89.52 173.33 8.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.804 -0.634 . . . . 25.0 110.667 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 167.37 -74.68 0.14 Allowed Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.295 -0.478 . . . . 25.0 113.491 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 tp -63.08 -35.11 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.961 -0.729 . . . . 25.0 109.948 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.01 -37.12 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.687 0.756 . . . . 25.0 110.203 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.7 -33.96 69.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.221 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.36 -33.89 19.0 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -103.07 -20.1 14.31 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 115.498 1.666 . . . . 25.0 115.498 -175.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.6 t -110.51 -44.36 3.7 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.41 1.005 . . . . 25.0 111.182 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -82.76 -16.11 49.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.55 0.69 . . . . 25.0 110.571 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -138.27 -179.39 5.76 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.916 -1.883 . . . . 25.0 105.916 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 p -98.14 149.75 22.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.3 0.571 . . . . 25.0 109.725 174.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.9 p -142.14 176.59 8.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -132.68 161.32 34.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 105.397 -2.075 . . . . 25.0 105.397 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.83 -32.27 52.27 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 113.357 0.873 . . . . 25.0 113.357 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.13 82.4 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.96 0.41 . . . . 25.0 111.732 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.25 -40.43 81.95 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 122.034 0.921 . . . . 25.0 109.278 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.496 HD22 HG11 ' A' ' 20' ' ' VAL . 2.0 tt -59.85 -43.09 94.83 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.018 -0.992 . . . . 25.0 110.6 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -58.24 -23.84 57.31 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.66 1.219 . . . . 25.0 113.69 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.6 p -60.16 -21.52 61.76 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 174.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -86.66 -4.11 59.13 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.375 1.25 . . . . 25.0 114.375 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.2 146.84 53.61 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.051 0.387 . . . . 25.0 110.646 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.32 -22.87 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.096 0.474 . . . . 25.0 111.178 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.2 p -133.27 158.4 75.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.088 -0.505 . . . . 25.0 109.667 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -80.52 176.52 9.06 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 118.404 -0.598 . . . . 25.0 112.344 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.12 119.21 13.98 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.197 -0.91 . . . . 25.0 109.795 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -83.88 72.03 10.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.633 0.73 . . . . 25.0 110.222 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.5 t -81.74 55.67 2.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.131 0.967 . . . . 25.0 110.34 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 . . . . . 0 C--O 1.3 3.757 0 CA-C-O 113.521 -3.133 . . . . 25.0 110.75 -177.259 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 122.803 1.287 . . . . 25.0 113.938 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -77.27 154.85 32.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.372 -0.831 . . . . 25.0 108.814 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -75.01 145.37 80.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.345 -0.983 . . . . 25.0 108.345 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.19 -32.79 94.93 Favored 'Trans proline' 0 C--N 1.347 0.454 0 N-CA-C 115.294 1.228 . . . . 25.0 115.294 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -159.78 117.5 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -105.1 -5.52 20.74 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.583 0.706 . . . . 25.0 110.425 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p -83.94 111.55 19.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.422 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.5 mt -110.31 123.93 50.73 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.392 -0.822 . . . . 25.0 110.011 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.3 m -133.79 158.84 42.34 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.595 -0.73 . . . . 25.0 110.099 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.56 -142.34 47.75 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.646 -0.788 . . . . 25.0 112.465 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.93 -24.86 70.38 Favored Glycine 0 C--O 1.219 -0.81 0 C-N-CA 121.432 -0.413 . . . . 25.0 113.184 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.38 -38.03 79.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.845 0.831 . . . . 25.0 110.825 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.5 tp -70.58 -41.24 72.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.559 -0.746 . . . . 25.0 109.81 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.85 -44.19 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.134 -0.484 . . . . 25.0 110.109 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -62.54 -36.06 81.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.697 0.284 . . . . 25.0 110.906 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 m -67.92 -40.69 83.35 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.811 -0.355 . . . . 25.0 111.103 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.61 -38.54 91.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -66.31 -41.51 89.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -65.45 -48.86 71.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.01 -30.32 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.023 0.439 . . . . 25.0 111.686 -175.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -91.81 -41.49 10.62 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 113.167 0.803 . . . . 25.0 113.167 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.52 -159.01 33.03 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 104.907 -3.277 . . . . 25.0 104.907 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -66.29 3.62 0.88 Allowed 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -80.08 -10.61 59.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.227 -0.92 . . . . 25.0 113.21 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.85 170.44 45.84 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 115.112 0.805 . . . . 25.0 115.112 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -155.65 170.95 20.83 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.8 0.44 . . . . 25.0 110.038 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -118.36 155.97 29.76 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.18 -0.99 52.68 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.372 0.606 . . . . 25.0 110.038 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.0 p -153.28 149.49 27.97 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 106.172 -1.788 . . . . 25.0 106.172 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -58.26 -49.87 91.19 Favored Pre-proline 0 N--CA 1.473 0.699 0 N-CA-C 114.397 1.258 . . . . 25.0 114.397 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.33 136.2 36.35 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 117.349 -1.3 . . . . 25.0 112.486 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.33 18.13 7.51 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.252 -0.886 . . . . 25.0 111.144 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 p -54.46 107.19 0.26 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.584 0.957 . . . . 25.0 113.584 -174.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -87.15 49.42 1.81 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.483 -0.781 . . . . 25.0 111.559 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 m -129.67 142.77 43.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 t 48.71 32.63 3.7 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -70.41 135.23 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.794 -0.566 . . . . 25.0 110.802 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -148.34 -49.46 0.16 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.975 -0.557 . . . . 25.0 109.9 171.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.1 m -152.68 147.12 18.85 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.75 152.75 58.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 116.876 -1.616 . . . . 25.0 109.73 173.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -126.03 -34.55 2.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.993 0.425 . . . . 25.0 110.53 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -141.41 176.6 8.73 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.18 -128.07 7.05 Favored Glycine 0 C--O 1.22 -0.757 0 N-CA-C 110.737 -0.945 . . . . 25.0 110.737 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -56.38 -29.57 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 117.133 0.466 . . . . 25.0 111.374 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -67.7 -30.94 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 121.719 -0.613 . . . . 25.0 111.143 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -68.94 -36.45 77.96 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -79.59 -43.6 22.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.767 -0.652 . . . . 25.0 112.375 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.7 m -108.59 -13.9 14.73 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 116.463 2.023 . . . . 25.0 116.463 -170.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -109.17 -45.01 3.83 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.274 0.943 . . . . 25.0 110.708 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -83.78 -16.01 46.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.349 0.595 . . . . 25.0 110.561 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -138.45 173.87 11.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.354 -2.091 . . . . 25.0 105.354 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 p -92.99 153.24 18.86 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.5 p -141.87 164.24 30.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.197 0.523 . . . . 25.0 111.321 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -108.54 157.99 17.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -59.09 -29.3 67.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.51 82.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.2 0.524 . . . . 25.0 110.305 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.76 -42.17 86.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.963 0.887 . . . . 25.0 109.071 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tt -58.9 -42.95 90.81 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.06 -0.973 . . . . 25.0 110.82 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -57.84 -21.04 40.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.0 p -68.09 -16.2 63.91 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.282 -0.886 . . . . 25.0 112.465 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -93.89 -0.68 55.57 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.691 0.396 . . . . 25.0 110.887 175.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.8 t -72.52 156.35 39.11 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.36 -20.63 60.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.821 0.343 . . . . 25.0 111.021 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.5 p -131.01 155.69 81.21 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.523 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -78.19 -179.32 5.34 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 120.259 0.639 . . . . 25.0 112.734 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.6 134.49 56.8 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.51 0.672 . . . . 25.0 110.481 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -103.11 43.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.52 -0.763 . . . . 25.0 111.621 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -134.78 58.9 1.75 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.814 0.816 . . . . 25.0 111.637 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 . . . . . 0 C--O 1.296 3.535 0 CA-C-O 114.67 -2.586 . . . . 25.0 111.707 178.095 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.885 0 CA-C-O 122.957 1.361 . . . . 25.0 114.379 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -105.67 163.47 12.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.235 -0.893 . . . . 25.0 109.631 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -109.33 157.67 36.61 Favored Pre-proline 0 C--O 1.216 -0.683 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.4 -36.32 94.21 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 117.971 -0.886 . . . . 25.0 112.8 173.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -99.84 58.14 1.02 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.511 0.93 . . . . 25.0 113.511 -175.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -76.28 -26.44 55.9 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.43 ' HB ' ' HA ' ' A' ' 49' ' ' CYS . 1.1 p -78.12 146.1 35.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.382 -0.827 . . . . 25.0 110.795 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -102.41 114.32 28.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.288 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -125.28 -57.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.942 1.46 . . . . 25.0 114.942 -174.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.89 -134.67 6.49 Favored Glycine 0 C--O 1.222 -0.619 0 CA-C-N 116.323 -0.399 . . . . 25.0 113.363 -175.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.33 -24.48 55.78 Favored Glycine 0 C--O 1.216 -1.024 0 C-N-CA 121.217 -0.516 . . . . 25.0 113.45 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.92 -32.94 73.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.15 -0.618 . . . . 25.0 111.767 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.34 -40.35 70.77 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.36 -43.76 98.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.34 -47.12 82.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.287 0.565 . . . . 25.0 110.575 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -64.07 -38.73 92.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.958 0.408 . . . . 25.0 111.945 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.23 -38.79 91.49 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.092 -0.38 . . . . 25.0 110.114 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.34 -39.17 81.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.63 -47.23 82.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.7 -25.57 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 -175.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.6 m -99.18 -29.63 12.73 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.303 1.964 . . . . 25.0 116.303 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.95 -172.52 54.33 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 108.128 -1.989 . . . . 25.0 108.128 -168.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.95 -3.94 2.94 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.963 1.468 . . . . 25.0 114.963 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -80.54 -5.93 57.47 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.045 1.128 . . . . 25.0 114.045 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.95 179.21 50.0 Favored Glycine 0 C--O 1.228 -0.259 0 N-CA-C 116.663 1.425 . . . . 25.0 116.663 173.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -158.77 170.9 21.11 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.321 -1.363 . . . . 25.0 107.321 -174.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.58 130.0 53.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 175.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -46.25 64.77 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 176.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 m -84.08 36.24 0.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 114.425 1.268 . . . . 25.0 114.425 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 69.32 151.05 0.13 Allowed Pre-proline 0 N--CA 1.488 1.443 0 C-N-CA 125.797 1.639 . . . . 25.0 111.145 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -67.66 163.44 35.12 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 118.364 -0.624 . . . . 25.0 112.683 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.85 -18.64 61.42 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 120.939 0.4 . . . . 25.0 110.851 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -58.08 97.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 117.424 2.379 . . . . 25.0 117.424 -173.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 62.43 2.93 0.96 Allowed 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 115.895 1.813 . . . . 25.0 115.895 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.2 m -123.84 28.77 2.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 122.946 1.355 . . . . 25.0 107.699 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.32 67.4 0.19 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 113.154 -1.839 . . . . 25.0 114.194 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -78.11 1.79 20.04 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.623 -0.673 . . . . 25.0 112.73 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 53.26 33.42 15.43 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 114.251 1.204 . . . . 25.0 114.251 174.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -127.58 137.05 29.9 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -67.08 145.06 72.0 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 116.506 -1.863 . . . . 25.0 109.305 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -156.61 174.84 14.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.367 -0.208 . . . . 25.0 111.144 -171.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -109.46 -93.56 0.42 Allowed 'General case' 0 C--O 1.209 -1.07 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.07 -73.1 2.58 Favored Glycine 0 C--O 1.22 -0.727 0 N-CA-C 114.945 0.738 . . . . 25.0 114.945 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.46 -41.63 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 118.222 1.011 . . . . 25.0 113.254 -173.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.02 -30.96 24.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 O-C-N 121.16 -0.962 . . . . 25.0 109.69 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -73.35 -34.01 65.4 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.201 -0.937 . . . . 25.0 110.99 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -84.63 -20.98 30.49 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.2 m -110.02 -13.3 14.42 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.312 1.597 . . . . 25.0 115.312 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.43 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 42.3 t -112.74 -50.76 2.87 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -78.03 -17.47 57.03 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.486 0.66 . . . . 25.0 109.523 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -143.04 171.05 14.58 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 104.11 -2.552 . . . . 25.0 104.11 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -91.54 158.19 16.6 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -140.05 160.87 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -96.54 155.01 16.95 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.977 -1.12 . . . . 25.0 107.977 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -59.08 -29.95 67.72 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 120.651 0.263 . . . . 25.0 110.952 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.81 75.63 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.019 0.438 . . . . 25.0 110.749 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.56 -40.44 80.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.741 0.781 . . . . 25.0 109.84 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.76 -42.52 93.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.221 -0.899 . . . . 25.0 110.066 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -57.5 -25.01 59.16 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -177.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.8 p -63.7 -16.1 60.17 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -86.76 0.63 54.38 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 112.16 0.429 . . . . 25.0 112.16 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 t -64.99 161.03 19.47 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.11 -20.11 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.329 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 p -124.82 155.34 70.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 111.946 0.35 . . . . 25.0 111.946 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -80.84 179.92 5.63 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 120.914 1.076 . . . . 25.0 113.353 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.65 149.77 45.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.508 -0.769 . . . . 25.0 109.535 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -122.27 47.43 1.92 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.946 0.879 . . . . 25.0 110.349 -177.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 m -79.47 58.82 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 1 C--O 1.308 4.18 0 CA-C-O 113.819 -2.991 . . . . 25.0 111.736 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 123.644 1.688 . . . . 25.0 114.392 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -93.06 161.19 14.53 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 114.907 -1.042 . . . . 25.0 110.25 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -89.53 145.3 33.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 104.886 -2.264 . . . . 25.0 104.886 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -55.57 -33.81 87.9 Favored 'Trans proline' 0 C--N 1.347 0.458 0 N-CA-C 117.846 2.21 . . . . 25.0 117.846 -173.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -147.95 57.12 1.09 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 -175.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -123.4 -29.65 3.78 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 p -124.02 145.26 49.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 mt -135.51 130.54 34.79 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.519 0.728 . . . . 25.0 109.73 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.05 -179.65 8.23 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.483 . . . . 25.0 109.697 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.45 33.11 74.87 Favored Glycine 0 C--O 1.219 -0.828 0 N-CA-C 116.191 1.237 . . . . 25.0 116.191 171.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.32 -25.97 17.81 Favored Glycine 0 C--O 1.219 -0.798 0 C-N-CA 120.843 -0.694 . . . . 25.0 113.447 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -63.68 -29.24 70.5 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 122.187 0.994 . . . . 25.0 109.106 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 tp -62.41 -40.39 96.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.363 -0.835 . . . . 25.0 110.416 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.66 -39.41 78.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.21 -44.06 87.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.776 0.798 . . . . 25.0 109.63 176.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -65.05 -40.19 94.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.72 -0.612 . . . . 25.0 112.262 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.08 -37.91 89.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.67 -40.49 84.43 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.83 -50.45 66.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.403 HG11 HD22 ' A' ' 58' ' ' LEU . 7.2 p -68.24 -26.29 33.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 O-C-N 121.872 -0.517 . . . . 25.0 112.187 -175.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.9 m -102.38 -41.03 6.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 115.368 1.618 . . . . 25.0 115.368 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.34 -150.12 46.56 Favored Glycine 0 N--CA 1.432 -1.625 0 N-CA-C 108.735 -1.746 . . . . 25.0 108.735 -172.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.47 -19.7 26.01 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 112.55 -1.825 . . . . 25.0 115.921 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -73.59 -14.48 61.2 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.627 -0.671 . . . . 25.0 112.797 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.09 173.96 49.21 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 115.059 0.783 . . . . 25.0 115.059 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -157.4 170.37 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 -176.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -134.78 157.02 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.225 -0.658 . . . . 25.0 109.225 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.99 -13.6 52.89 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.716 0.77 . . . . 25.0 111.017 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.7 p -131.63 153.62 49.75 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 104.146 -2.539 . . . . 25.0 104.146 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -56.35 -49.91 90.67 Favored Pre-proline 0 N--CA 1.475 0.817 0 N-CA-C 117.14 2.274 . . . . 25.0 117.14 -176.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.86 127.8 14.19 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 117.593 -1.138 . . . . 25.0 114.021 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.76 -36.53 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.539 -1.209 . . . . 25.0 111.008 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.3 t 56.73 -156.96 0.28 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.202 -0.908 . . . . 25.0 109.675 -174.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -130.66 14.16 5.41 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.083 0.468 . . . . 25.0 110.085 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.41 117.21 35.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.2 t -76.72 105.36 7.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -96.61 131.71 42.99 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.988 -1.116 . . . . 25.0 107.988 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.28 13.72 0.68 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.9 t -142.33 89.66 8.43 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -74.63 164.43 33.78 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 118.005 -0.864 . . . . 25.0 112.439 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -83.26 175.2 10.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 175.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.01 170.5 9.74 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.59 -89.08 0.13 Allowed Glycine 0 C--N 1.324 -0.096 0 C-N-CA 121.135 -0.555 . . . . 25.0 113.11 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.429 HD11 ' HG ' ' A' ' 58' ' ' LEU . 7.2 tp -59.12 -35.29 56.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.206 0.527 . . . . 25.0 111.724 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.31 -38.0 78.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 121.581 -0.7 . . . . 25.0 111.259 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -73.04 -33.88 65.96 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.267 -0.973 . . . . 25.0 111.09 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.31 -23.1 30.41 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 94.7 m -110.49 -19.0 13.09 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 115.048 1.499 . . . . 25.0 115.048 -177.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.0 t -106.57 -52.05 2.85 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.905 0.775 . . . . 25.0 110.721 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -78.69 -15.72 58.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.293 0.568 . . . . 25.0 110.765 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -140.69 168.61 19.39 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 105.386 -2.079 . . . . 25.0 105.386 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.7 p -90.17 150.52 21.98 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.7 p -139.78 167.97 20.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.195 0.521 . . . . 25.0 110.266 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -120.6 157.01 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.19 -31.94 61.8 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 113.408 0.892 . . . . 25.0 113.408 -178.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.67 96.03 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.168 0.509 . . . . 25.0 111.473 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -72.17 -39.57 68.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.807 0.813 . . . . 25.0 109.413 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' A' ' 44' ' ' ILE . 2.3 tt -59.69 -43.25 94.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.08 -0.964 . . . . 25.0 109.921 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -56.48 -20.94 22.52 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.7 p -68.27 -16.11 63.83 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.254 -0.903 . . . . 25.0 112.725 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -94.27 2.04 55.91 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.348 0.594 . . . . 25.0 111.059 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.52 162.51 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.18 -28.96 69.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 p -84.56 153.16 61.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 122.206 -0.309 . . . . 25.0 111.275 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -74.38 178.4 7.08 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 120.215 0.61 . . . . 25.0 112.812 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.7 134.08 56.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.815 -0.63 . . . . 25.0 110.517 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -84.27 31.57 0.51 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 173.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 t 42.93 53.15 5.12 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 123.237 1.494 . . . . 25.0 112.186 -176.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 . . . . . 0 C--O 1.302 3.832 0 CA-C-O 113.081 -3.342 . . . . 25.0 111.204 -176.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 123.581 1.657 . . . . 25.0 114.339 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -79.27 141.8 36.73 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.152 -0.931 . . . . 25.0 111.007 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -78.01 155.73 79.94 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 107.613 -1.254 . . . . 25.0 107.613 174.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -57.16 -26.0 67.15 Favored 'Trans proline' 0 C--N 1.349 0.595 0 N-CA-C 116.771 1.797 . . . . 25.0 116.771 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -139.02 105.14 5.22 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.09 -15.01 7.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.896 -1.047 . . . . 25.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 p -81.58 150.81 27.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.65 100.26 8.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.905 0.86 . . . . 25.0 110.395 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -149.54 -166.03 2.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.236 -0.893 . . . . 25.0 110.033 -174.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.22 32.33 83.5 Favored Glycine 0 C--O 1.219 -0.813 0 N-CA-C 115.168 0.827 . . . . 25.0 115.168 171.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.85 -28.18 5.59 Favored Glycine 0 C--O 1.227 -0.318 0 C-N-CA 120.867 -0.683 . . . . 25.0 113.024 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -65.7 -23.87 66.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.917 0.858 . . . . 25.0 109.549 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.9 tp -59.51 -43.94 93.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.534 -0.303 . . . . 25.0 110.547 173.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.48 -40.89 85.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -57.57 -40.75 79.65 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.5 0.667 . . . . 25.0 109.831 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -69.78 -39.73 76.46 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 121.724 -0.61 . . . . 25.0 112.458 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.58 -38.64 90.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.33 -37.41 80.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.893 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -66.97 -47.87 70.24 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.91 -0.494 . . . . 25.0 112.101 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.65 -32.07 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -160.31 33.85 0.17 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.485 1.661 . . . . 25.0 115.485 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.09 -27.09 68.34 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.646 -0.788 . . . . 25.0 113.979 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -74.26 -18.54 60.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.944 0.402 . . . . 25.0 111.305 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -93.89 -25.83 17.15 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 120.99 0.424 . . . . 25.0 110.59 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.18 160.81 35.69 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 108.697 -1.761 . . . . 25.0 108.697 -171.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -155.78 166.81 32.38 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -130.86 160.97 32.86 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.43 -1.88 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.11 0.481 . . . . 25.0 111.387 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -137.12 155.63 49.36 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.969 -1.863 . . . . 25.0 105.969 175.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -62.54 -52.65 63.83 Favored Pre-proline 0 N--CA 1.471 0.61 0 C-N-CA 120.499 -0.48 . . . . 25.0 111.994 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.23 142.19 33.48 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 116.961 -1.559 . . . . 25.0 111.33 173.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.24 -24.64 10.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.832 -0.622 . . . . 25.0 110.362 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t 51.25 27.04 3.28 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.098 1.147 . . . . 25.0 114.098 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 57.96 22.57 8.93 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.706 1.002 . . . . 25.0 113.706 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.09 164.86 26.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 CA-C-O 122.187 0.994 . . . . 25.0 109.564 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.0 t -149.85 59.64 0.99 Allowed 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.961 -1.866 . . . . 25.0 105.961 172.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -131.0 145.24 51.99 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 105.391 -2.077 . . . . 25.0 105.391 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 60.87 27.04 16.88 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 124.553 1.158 . . . . 25.0 109.002 -168.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.4 p 64.09 150.68 0.11 Allowed Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 126.112 1.765 . . . . 25.0 114.114 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -66.79 150.54 83.33 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 116.644 -1.771 . . . . 25.0 110.533 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -69.43 167.13 17.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.966 0.889 . . . . 25.0 110.868 -176.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -74.74 161.35 29.71 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.173 -0.921 . . . . 25.0 109.842 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.61 -69.19 0.16 Allowed Glycine 0 C--O 1.226 -0.377 0 N-CA-C 110.466 -1.054 . . . . 25.0 110.466 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.5 HD11 ' HG ' ' A' ' 58' ' ' LEU . 4.4 tp -59.09 -41.25 82.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.883 0.373 . . . . 25.0 110.114 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.15 -32.94 59.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.95 0.405 . . . . 25.0 110.609 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.94 -33.54 65.99 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 119.557 -0.857 . . . . 25.0 110.425 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -83.53 -35.69 24.62 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -101.59 -19.61 15.39 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 116.462 2.023 . . . . 25.0 116.462 -173.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.4 t -112.32 -45.29 3.28 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.252 0.478 . . . . 25.0 111.507 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -79.04 -15.37 58.32 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.958 0.409 . . . . 25.0 110.019 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -144.47 -179.62 6.67 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 104.117 -2.549 . . . . 25.0 104.117 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 m -96.94 153.02 18.15 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 175.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.3 p -143.72 164.94 29.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 25.0 110.764 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -103.62 156.83 17.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.534 -0.757 . . . . 25.0 109.572 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.85 -29.66 63.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.423 0.289 . . . . 25.0 111.633 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.72 -48.5 63.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 25.0 110.596 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.98 -40.03 87.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.777 0.798 . . . . 25.0 109.853 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' HG ' HD11 ' A' ' 44' ' ' ILE . 3.0 tt -58.07 -44.85 87.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.037 -0.983 . . . . 25.0 110.035 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -60.89 -19.25 60.08 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.288 0.847 . . . . 25.0 113.288 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.9 p -69.57 -16.05 63.34 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.069 -1.019 . . . . 25.0 112.866 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -86.44 1.54 50.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.96 0.409 . . . . 25.0 112.047 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.3 m -74.62 162.19 28.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.876 -0.787 . . . . 25.0 108.876 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -18.68 64.42 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.026 0.441 . . . . 25.0 111.38 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 p -120.9 159.83 47.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -75.35 177.82 8.14 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 118.124 -0.784 . . . . 25.0 112.289 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.96 130.19 43.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.92 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -85.16 42.7 0.96 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.832 0.825 . . . . 25.0 110.763 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 m -122.29 65.68 0.93 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.294 -0.866 . . . . 25.0 111.23 -176.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 . . . . . 0 C--O 1.304 3.961 0 CA-C-O 115.632 -2.128 . . . . 25.0 113.731 -178.509 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 122.371 1.082 . . . . 25.0 113.748 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -68.67 145.84 53.52 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.309 -0.86 . . . . 25.0 111.896 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -90.44 154.61 46.46 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 107.042 -1.466 . . . . 25.0 107.042 174.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.77 -28.86 88.11 Favored 'Trans proline' 0 C--N 1.348 0.524 0 N-CA-C 113.852 0.674 . . . . 25.0 113.852 176.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m -142.05 102.69 4.18 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -84.21 -14.22 50.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.751 0.786 . . . . 25.0 109.544 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -116.87 157.63 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.66 98.87 12.02 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.35 1.072 . . . . 25.0 110.185 -174.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.41 -168.5 3.12 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.259 -1.337 . . . . 25.0 110.319 -172.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.33 28.86 73.99 Favored Glycine 0 C--O 1.219 -0.795 0 N-CA-C 114.975 0.75 . . . . 25.0 114.975 173.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.93 -27.4 6.7 Favored Glycine 0 C--O 1.225 -0.457 0 CA-C-O 119.348 -0.695 . . . . 25.0 113.235 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -64.78 -23.57 67.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.24 1.02 . . . . 25.0 109.408 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.03 -41.03 82.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.71 174.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.26 -40.14 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.179 -0.675 . . . . 25.0 109.179 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.61 -39.95 93.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.408 0.623 . . . . 25.0 109.516 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -65.74 -41.65 91.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.827 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.27 -36.93 81.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.491 0.662 . . . . 25.0 109.825 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -70.65 -33.45 70.98 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.066 -0.515 . . . . 25.0 111.196 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -73.86 -49.41 25.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.455 HG11 HD22 ' A' ' 58' ' ' LEU . 9.9 p -73.36 -27.51 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -174.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 m -130.85 -54.47 1.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.58 -102.21 0.18 Allowed Glycine 0 CA--C 1.517 0.208 0 N-CA-C 115.877 1.111 . . . . 25.0 115.877 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.5 -13.6 62.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.827 0.451 . . . . 25.0 112.063 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -71.39 -15.5 62.37 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 174.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.14 157.1 13.67 Favored Glycine 0 C--O 1.226 -0.362 0 N-CA-C 110.113 -1.195 . . . . 25.0 110.113 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 51.3 p90 -160.12 160.62 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.679 0.739 . . . . 25.0 110.572 178.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -131.38 161.17 33.01 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.385 -0.968 . . . . 25.0 108.385 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.34 -50.75 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 p -82.12 152.96 26.29 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.038 -1.838 . . . . 25.0 106.038 172.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -50.18 89.39 Favored Pre-proline 0 CA--C 1.545 0.76 0 N-CA-C 113.476 0.917 . . . . 25.0 113.476 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -71.66 145.42 46.59 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 117.298 -1.335 . . . . 25.0 111.564 172.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.16 -26.83 67.61 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.359 0.503 . . . . 25.0 112.359 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t 61.89 -164.99 0.24 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.39 -0.823 . . . . 25.0 110.506 -175.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -145.78 54.0 1.17 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.944 0.878 . . . . 25.0 108.86 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.2 m -131.38 170.85 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 105.939 -1.875 . . . . 25.0 105.939 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -113.26 -154.91 0.55 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 105.875 -1.898 . . . . 25.0 105.875 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 59.73 -177.76 0.09 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.736 1.214 . . . . 25.0 111.34 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -124.57 49.23 1.84 Allowed 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 177.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -59.47 148.96 72.07 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.352 -0.84 . . . . 25.0 109.969 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.74 151.46 84.37 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 117.849 -0.967 . . . . 25.0 111.766 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -149.69 165.86 31.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -86.75 -168.38 2.22 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.386 -1.339 . . . . 25.0 107.386 176.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.05 -102.68 2.89 Favored Glycine 0 C--O 1.224 -0.522 0 CA-C-N 118.41 0.55 . . . . 25.0 112.154 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 tp -58.91 -32.04 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 117.339 0.57 . . . . 25.0 111.682 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.83 -36.09 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.542 0.687 . . . . 25.0 110.259 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.77 -38.17 70.37 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.723 -0.611 . . . . 25.0 110.418 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.45 -29.69 27.86 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.857 1.429 . . . . 25.0 114.857 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.6 m -109.45 -17.19 13.83 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.982 1.845 . . . . 25.0 115.982 -175.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.0 t -114.69 -44.07 3.1 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -82.95 -15.92 49.41 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.97 0.891 . . . . 25.0 109.003 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -127.84 -159.71 0.96 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.291 -3.225 . . . . 25.0 102.291 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 t -136.76 150.92 48.66 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 104.748 -2.316 . . . . 25.0 104.748 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.406 ' HB2' HD22 ' A' ' 57' ' ' LEU . 22.5 p -136.84 163.44 30.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.098 0.475 . . . . 25.0 111.938 -172.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -99.68 160.58 14.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 174.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.65 -30.43 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.13 91.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.157 0.504 . . . . 25.0 110.475 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.406 HD22 ' HB2' ' A' ' 53' ' ' CYS . 6.8 tt -68.95 -41.7 77.66 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.455 HD22 HG11 ' A' ' 20' ' ' VAL . 2.0 tt -58.89 -42.66 90.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.616 -0.72 . . . . 25.0 110.611 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -56.95 -24.08 50.24 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 p -68.04 -16.33 63.98 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.237 -0.915 . . . . 25.0 113.219 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -89.74 1.95 55.46 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.108 0.48 . . . . 25.0 110.921 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 81.5 m -77.85 158.1 29.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 25.0 110.949 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.11 -28.47 62.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.198 -0.456 . . . . 25.0 112.225 -173.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.8 p -126.7 151.92 74.07 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -85.22 176.82 5.57 Favored 'Trans proline' 0 C--O 1.236 0.417 0 N-CA-C 114.076 0.76 . . . . 25.0 114.076 -175.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.06 100.87 3.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.828 -1.078 . . . . 25.0 108.344 174.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -80.32 75.99 7.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.758 0.313 . . . . 25.0 111.163 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.8 t -77.76 74.37 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.903 0.858 . . . . 25.0 110.613 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 C--O 1.297 3.56 0 CA-C-O 114.835 -2.507 . . . . 25.0 112.383 -179.107 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 123.114 1.435 . . . . 25.0 114.059 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -96.55 157.72 15.77 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.289 -0.869 . . . . 25.0 109.059 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 148.5 96.25 Favored Pre-proline 0 C--O 1.239 0.544 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.34 -35.5 91.04 Favored 'Trans proline' 0 C--N 1.345 0.385 0 N-CA-C 114.511 0.927 . . . . 25.0 114.511 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 m -174.74 141.75 0.65 Allowed 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 101.291 -3.596 . . . . 25.0 101.291 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -88.6 -18.4 28.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.053 -0.976 . . . . 25.0 108.561 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 p -89.55 140.14 29.84 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.395 -1.706 . . . . 25.0 106.395 173.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.86 110.95 17.35 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.78 -1.192 . . . . 25.0 107.78 -176.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.85 -163.1 1.5 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.338 -170.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.49 29.28 72.99 Favored Glycine 0 C--O 1.218 -0.9 0 N-CA-C 115.23 0.852 . . . . 25.0 115.23 174.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.14 -28.3 6.24 Favored Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.923 -0.655 . . . . 25.0 112.739 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -63.86 -25.01 67.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.606 0.703 . . . . 25.0 109.492 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.41 -39.73 88.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.843 175.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.05 -40.56 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -37.92 87.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.477 0.656 . . . . 25.0 109.79 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -67.72 -40.45 84.26 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.547 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.68 -36.96 84.59 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -69.01 -37.95 78.95 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.468 -0.333 . . . . 25.0 110.822 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -68.24 -48.2 65.73 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -74.13 -31.1 28.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 O-C-N 122.207 -0.308 . . . . 25.0 111.623 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.6 m -129.85 -56.14 1.13 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.597 1.332 . . . . 25.0 114.597 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.62 -106.51 0.6 Allowed Glycine 0 N--CA 1.462 0.385 0 N-CA-C 115.665 1.026 . . . . 25.0 115.665 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -59.13 -28.37 66.49 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.72 0.808 . . . . 25.0 112.54 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -64.06 -16.62 62.12 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.395 -0.366 . . . . 25.0 111.143 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.94 147.37 10.1 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.278 -1.129 . . . . 25.0 110.278 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.525 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 48.4 p90 -158.13 163.47 37.57 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -136.2 158.72 43.74 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.32 -12.0 59.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 174.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 m -103.39 151.5 22.7 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.503 -0.771 . . . . 25.0 111.459 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -60.87 -48.81 91.75 Favored Pre-proline 0 N--CA 1.474 0.742 0 N-CA-C 115.494 1.664 . . . . 25.0 115.494 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.71 125.71 13.64 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 117.246 -1.369 . . . . 25.0 114.131 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.51 3.55 49.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.337 -1.302 . . . . 25.0 113.809 -175.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -71.4 22.11 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 117.587 2.439 . . . . 25.0 117.587 -170.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 54.88 22.84 4.52 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.626 1.713 . . . . 25.0 115.626 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.13 125.38 66.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.874 0.845 . . . . 25.0 111.116 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 t -108.98 11.24 26.01 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.573 -0.74 . . . . 25.0 110.701 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -67.71 -12.31 60.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.884 0.698 . . . . 25.0 112.884 -176.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.79 12.35 7.47 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.9 t 48.53 66.3 5.9 Favored Pre-proline 0 N--CA 1.476 0.837 0 CA-C-O 121.298 0.57 . . . . 25.0 112.271 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.21 159.84 48.71 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 117.458 -1.228 . . . . 25.0 112.589 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -144.47 168.28 20.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 105.448 -2.056 . . . . 25.0 105.448 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 49.41 -120.23 1.39 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.981 0.801 . . . . 25.0 113.082 172.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.97 -118.14 5.08 Favored Glycine 0 C--O 1.223 -0.556 0 C-N-CA 120.975 -0.631 . . . . 25.0 113.192 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.402 HD11 ' HG ' ' A' ' 58' ' ' LEU . 4.1 tp -51.18 -33.88 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.511 0.724 . . . . 25.0 112.112 -176.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 m -68.92 -26.21 31.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 121.888 -0.507 . . . . 25.0 112.169 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.7 -33.97 73.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 -177.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.65 -36.21 14.51 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 113.498 0.925 . . . . 25.0 113.498 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.7 m -108.71 -10.89 15.13 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 117.131 2.271 . . . . 25.0 117.131 -173.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.6 t -116.27 -46.97 2.77 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.393 0.997 . . . . 25.0 111.513 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -80.93 -15.15 57.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.136 -0.69 . . . . 25.0 109.136 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -136.3 168.65 19.03 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 p -92.04 154.01 19.04 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.3 p -145.88 160.86 41.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.552 0.691 . . . . 25.0 112.781 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -89.07 156.02 19.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.009 -0.996 . . . . 25.0 108.447 175.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.08 -29.65 68.71 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 120.627 0.251 . . . . 25.0 110.495 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.98 -42.45 80.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.049 0.452 . . . . 25.0 111.081 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.03 -42.8 75.88 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.825 -0.805 . . . . 25.0 108.825 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HG ' HD11 ' A' ' 44' ' ' ILE . 2.9 tt -57.84 -42.09 83.69 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.011 -0.995 . . . . 25.0 110.052 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -57.36 -24.27 54.26 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.5 p -67.05 -19.52 65.69 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.389 -0.819 . . . . 25.0 113.16 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -79.67 0.33 30.74 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.415 0.626 . . . . 25.0 112.255 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 71.0 m -77.67 165.91 23.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.672 0.748 . . . . 25.0 111.131 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.23 -23.45 61.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -102.93 158.56 31.52 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 172.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.75 178.84 7.1 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 118.065 -0.823 . . . . 25.0 110.927 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.25 135.61 57.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.93 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -95.97 10.68 36.59 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.979 0.895 . . . . 25.0 110.579 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.74 43.96 0.71 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 122.342 1.068 . . . . 25.0 112.253 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.303 3.885 0 CA-C-O 115.854 -2.022 . . . . 25.0 114.382 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.795 0.331 . . . . 25.0 110.211 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -128.51 127.68 42.88 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 122.792 0.437 . . . . 25.0 110.243 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.2 m -132.51 -47.01 0.89 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 115.69 1.737 . . . . 25.0 115.69 -174.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.81 -132.95 7.55 Favored Glycine 0 C--O 1.229 -0.164 0 CA-C-O 121.622 0.568 . . . . 25.0 114.03 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.33 -26.6 70.74 Favored Glycine 0 C--O 1.219 -0.811 0 C-N-CA 121.016 -0.612 . . . . 25.0 111.717 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -66.37 -26.5 67.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.795 0.295 . . . . 25.0 111.795 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.7 tp -72.36 -42.6 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.0 t -64.18 -39.69 86.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.35 -45.36 93.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.055 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.8 m -62.68 -40.11 96.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.805 0.336 . . . . 25.0 111.676 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.74 -38.46 91.18 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.213 -0.305 . . . . 25.0 110.439 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -67.47 -40.46 85.31 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -63.83 -50.42 68.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.05 -30.24 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 121.109 0.481 . . . . 25.0 111.534 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -89.64 -33.98 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.27 -136.77 30.57 Favored Glycine 0 N--CA 1.433 -1.505 0 N-CA-C 105.164 -3.174 . . . . 25.0 105.164 -169.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -79.09 2.21 21.53 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.968 -1.116 . . . . 25.0 113.355 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 -72.25 -21.1 61.43 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 121.051 -1.031 . . . . 25.0 113.116 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.95 163.46 30.15 Favored Glycine 0 C--O 1.223 -0.536 0 C-N-CA 121.193 -0.527 . . . . 25.0 112.691 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -152.09 170.5 19.79 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.577 0.688 . . . . 25.0 111.284 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.93 143.88 51.1 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.77 -16.76 43.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.552 0.691 . . . . 25.0 109.612 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 115.415 -0.812 . . . . 25.0 108.913 179.602 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.796 0 N-CA-C 117.513 1.765 . . . . 25.0 117.513 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.0 tp -57.98 -34.8 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 114.232 1.197 . . . . 25.0 114.232 -169.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -64.41 -31.0 51.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.289 0.566 . . . . 25.0 110.734 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.26 -40.23 93.66 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.01 -0.431 . . . . 25.0 111.346 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -90.92 -29.69 17.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.3 m -102.29 -15.62 16.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 115.238 1.57 . . . . 25.0 115.238 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -115.8 -50.79 2.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.156 0.435 . . . . 25.0 111.803 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -76.97 -16.37 59.36 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.285 0.564 . . . . 25.0 109.822 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -135.5 -170.94 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 105.534 -2.024 . . . . 25.0 105.534 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.4 p -114.23 142.92 45.66 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -127.59 176.93 7.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.237 0.335 . . . . 25.0 110.282 -177.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -121.98 159.56 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -58.82 -31.46 68.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.92 89.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.283 0.563 . . . . 25.0 110.708 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.55 -39.01 77.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.625 0.726 . . . . 25.0 109.213 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.48 -43.18 97.25 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.484 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.21 -18.12 56.65 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.8 p -69.12 -16.31 63.63 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.082 -1.011 . . . . 25.0 112.14 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -90.96 -1.46 57.82 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.363 0.602 . . . . 25.0 110.849 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.75 158.7 34.14 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.02 -31.61 72.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.901 0.381 . . . . 25.0 111.007 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 107.867 -1.16 . . . . 25.0 107.867 176.066 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.8 mt -135.44 129.44 33.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.119 -0.946 . . . . 25.0 108.636 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -148.46 164.75 33.22 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.898 -0.321 . . . . 25.0 110.161 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.25 -144.35 45.37 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 121.035 -0.602 . . . . 25.0 112.395 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.46 -22.65 71.49 Favored Glycine 0 C--O 1.219 -0.791 0 C-N-CA 121.132 -0.556 . . . . 25.0 113.597 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.67 -37.55 86.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.645 0.723 . . . . 25.0 109.68 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.5 tp -66.8 -42.05 86.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.61 -43.86 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.98 -37.62 80.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.99 0.424 . . . . 25.0 110.628 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 m -70.67 -39.6 73.45 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.728 -0.389 . . . . 25.0 111.865 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.14 -37.75 86.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.49 0.662 . . . . 25.0 109.591 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -69.97 -33.18 71.75 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.281 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -74.11 -47.11 38.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.409 HG11 HD22 ' A' ' 58' ' ' LEU . 9.9 p -73.84 -25.97 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -174.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.4 m -137.18 -53.85 0.69 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.43 -100.2 0.09 OUTLIER Glycine 0 N--CA 1.464 0.527 0 N-CA-C 115.924 1.13 . . . . 25.0 115.924 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.82 -32.22 63.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.954 0.902 . . . . 25.0 112.048 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -72.56 -5.39 36.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 25.0 112.128 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.58 158.65 10.35 Favored Glycine 0 C--O 1.229 -0.192 0 CA-C-N 116.669 -0.241 . . . . 25.0 113.113 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -161.43 162.77 30.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.022 0.411 . . . . 25.0 111.165 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -130.61 151.77 50.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.33 -18.32 28.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.714 0.769 . . . . 25.0 111.017 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 -178.023 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 110.39 -1.084 . . . . 25.0 110.39 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 tp -55.16 -35.44 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.32 -39.45 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 O-C-N 121.482 -0.761 . . . . 25.0 111.183 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -66.94 -32.07 73.08 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.864 -0.522 . . . . 25.0 110.848 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -81.91 -40.32 22.52 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.25 -18.19 14.99 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 116.854 2.168 . . . . 25.0 116.854 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.6 t -109.64 -45.52 3.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.663 0.665 . . . . 25.0 111.398 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -76.09 -20.74 57.41 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.863 0.364 . . . . 25.0 110.337 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -145.21 178.41 8.09 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.5 p -88.24 152.94 21.61 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 123.483 0.49 . . . . 25.0 110.699 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.7 p -143.8 163.63 32.81 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.828 0.347 . . . . 25.0 111.595 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -109.18 157.86 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.586 -0.733 . . . . 25.0 109.296 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.52 -28.48 67.11 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.49 78.16 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.215 0.531 . . . . 25.0 110.083 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.07 -40.93 91.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.9 0.857 . . . . 25.0 109.076 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.409 HD22 HG11 ' A' ' 20' ' ' VAL . 1.4 tt -58.73 -43.37 90.17 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.961 -1.018 . . . . 25.0 110.897 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.59 -27.0 62.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.64 0.608 . . . . 25.0 112.64 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.9 p -67.77 -16.19 64.0 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.402 -0.811 . . . . 25.0 113.027 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -88.33 1.6 54.28 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.803 0.335 . . . . 25.0 111.686 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -73.38 161.79 30.05 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.3 -27.57 62.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.84 0.352 . . . . 25.0 110.958 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.5 p . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.474 -0.33 . . . . 25.0 111.589 179.509 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.22 113.37 26.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.297 0.57 . . . . 25.0 111.827 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 -56.78 1.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 -174.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.85 -137.39 8.11 Favored Glycine 0 C--O 1.221 -0.689 0 CA-C-N 116.281 -0.418 . . . . 25.0 113.837 -174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.29 -22.31 58.29 Favored Glycine 0 C--O 1.224 -0.5 0 C-N-CA 121.251 -0.5 . . . . 25.0 113.183 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -60.86 -37.67 82.91 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 121.015 0.436 . . . . 25.0 110.547 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.2 tp -67.54 -41.19 84.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.138 0.494 . . . . 25.0 109.974 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.88 -39.28 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.66 -41.7 97.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.379 -0.2 . . . . 25.0 110.742 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.5 m -66.33 -42.01 88.8 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 122.077 -0.39 . . . . 25.0 111.884 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' A' ' 58' ' ' LEU . 3.8 mt -60.79 -38.65 86.05 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.72 -0.612 . . . . 25.0 109.809 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.54 -32.99 73.32 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 116.331 -0.395 . . . . 25.0 111.475 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -72.19 -42.72 65.52 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.713 -0.617 . . . . 25.0 111.473 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.7 -38.48 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.1 m -124.75 -8.38 7.31 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 116.698 2.11 . . . . 25.0 116.698 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.19 168.88 41.92 Favored Glycine 0 C--N 1.32 -0.342 0 CA-C-O 121.985 0.769 . . . . 25.0 111.448 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -79.4 15.12 1.33 Allowed 'General case' 0 N--CA 1.472 0.64 0 O-C-N 122.114 -0.639 . . . . 25.0 111.692 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -69.57 -18.65 63.66 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.059 0.762 . . . . 25.0 113.059 -174.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.14 149.28 5.48 Favored Glycine 0 CA--C 1.51 -0.256 0 C-N-CA 121.449 -0.405 . . . . 25.0 112.703 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -160.7 159.54 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.638 -1.616 . . . . 25.0 106.638 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -117.0 142.48 46.9 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -93.65 2.42 56.33 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.529 0.681 . . . . 25.0 112.01 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 p . . . . . 0 C--N 1.323 -0.579 0 N-CA-C 104.149 -2.538 . . . . 25.0 104.149 176.361 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.749 0 CA-C-O 120.349 -0.139 . . . . 25.0 113.141 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -58.07 -36.93 58.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 116.927 0.363 . . . . 25.0 110.925 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.07 -35.28 67.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 O-C-N 121.456 -0.777 . . . . 25.0 110.146 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.15 -39.72 86.57 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.462 -0.774 . . . . 25.0 110.53 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -84.65 -26.65 27.68 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.1 m -103.63 -12.48 17.02 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 116.247 1.943 . . . . 25.0 116.247 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.2 t -118.01 -46.05 2.64 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.46 0.541 . . . . 25.0 112.46 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -83.4 -11.46 57.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.82 -0.807 . . . . 25.0 108.82 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -138.69 171.16 14.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 103.733 -2.691 . . . . 25.0 103.733 171.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.5 p -93.72 149.9 20.85 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.676 -1.601 . . . . 25.0 106.676 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.6 p -137.74 166.47 23.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.054 0.454 . . . . 25.0 110.392 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -112.06 167.41 10.42 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.57 -26.56 68.03 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.42 -45.61 53.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.421 0.555 . . . . 25.0 110.14 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.37 -46.06 91.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.908 0.861 . . . . 25.0 108.991 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 17' ' ' LEU . 5.2 tt -57.11 -44.25 83.07 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.99 -1.004 . . . . 25.0 111.807 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -55.68 -28.14 54.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.062 -0.517 . . . . 25.0 112.166 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.4 p -65.3 -16.3 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.95 -3.85 56.96 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.026 0.38 . . . . 25.0 112.026 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.3 m -73.18 146.98 45.18 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.92 -25.08 61.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 -173.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.323 -0.584 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 176.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 107.186 -1.413 . . . . 25.0 107.186 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.3 mt -129.62 119.6 23.85 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.905 0.882 . . . . 25.0 108.675 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.2 m -112.98 -164.89 0.95 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.832 -0.622 . . . . 25.0 111.205 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.46 138.17 23.96 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 121.047 -0.597 . . . . 25.0 114.18 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.27 -69.2 3.04 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-O 119.919 -0.379 . . . . 25.0 112.659 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -64.81 -33.62 76.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.687 0.743 . . . . 25.0 111.715 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.3 tp -65.86 -39.42 90.7 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.6 -41.04 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -63.91 -38.96 93.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.25 0.548 . . . . 25.0 110.052 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -64.69 -43.11 94.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.345 -0.389 . . . . 25.0 110.956 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.68 -37.32 83.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.898 -0.501 . . . . 25.0 110.256 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.77 -39.51 84.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.618 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.11 -44.3 80.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.236 0.458 . . . . 25.0 112.236 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -73.18 -42.78 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 122.048 -0.407 . . . . 25.0 111.839 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -150.3 29.91 0.7 Allowed 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 115.551 1.686 . . . . 25.0 115.551 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.43 -27.92 66.52 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 120.861 -0.685 . . . . 25.0 112.935 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.24 -37.91 73.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.516 0.674 . . . . 25.0 111.719 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.86 -21.63 17.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.526 -0.761 . . . . 25.0 112.81 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.77 166.0 40.63 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 109.79 -1.324 . . . . 25.0 109.79 -174.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -152.74 166.19 32.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.284 -0.539 . . . . 25.0 111.46 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -118.94 160.84 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.6 5.62 51.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 25.0 110.813 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.216 -0.69 0 N-CA-C 104.29 -2.485 . . . . 25.0 104.29 176.404 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 111.567 -0.613 . . . . 25.0 111.567 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 tp -55.38 -35.14 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.694 0.798 . . . . 25.0 110.24 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.7 p -61.44 -32.09 52.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.227 0.454 . . . . 25.0 112.227 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -72.94 -38.19 66.88 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.522 -1.271 . . . . 25.0 110.237 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -28.46 54.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.005 0.372 . . . . 25.0 112.005 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.4 m -102.17 -27.84 12.66 Favored 'General case' 0 C--O 1.208 -1.092 0 N-CA-C 116.262 1.949 . . . . 25.0 116.262 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.7 t -106.77 -39.03 5.92 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.512 1.051 . . . . 25.0 111.659 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -89.16 -9.07 52.3 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.873 0.844 . . . . 25.0 110.053 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -139.51 -165.32 1.84 Allowed 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 102.764 -3.051 . . . . 25.0 102.764 171.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 p -120.71 153.76 36.52 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.8 p -143.1 165.81 26.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.258 0.551 . . . . 25.0 112.332 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -117.01 162.77 17.26 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.11 -30.44 68.11 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 111.92 0.341 . . . . 25.0 111.92 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.69 93.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.4 0.619 . . . . 25.0 110.808 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.97 -42.2 70.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.434 ' C ' HD23 ' A' ' 58' ' ' LEU . 5.1 tt -58.7 -43.59 90.07 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.728 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -55.57 -26.29 42.74 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.605 0.717 . . . . 25.0 112.005 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 p -68.77 -16.14 63.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.88 1.067 . . . . 25.0 113.88 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -91.99 -1.04 57.46 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.99 0.516 . . . . 25.0 111.148 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.1 m -74.83 167.7 21.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.941 -0.475 . . . . 25.0 110.654 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -13.94 62.16 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.137 0.494 . . . . 25.0 111.03 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.323 -0.579 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 178.268 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.213 0.53 . . . . 25.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.2 mt -109.39 119.61 39.99 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.065 -0.516 . . . . 25.0 112.045 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.35 164.22 30.83 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.63 -145.44 47.47 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.955 -0.641 . . . . 25.0 113.115 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.66 -22.05 71.41 Favored Glycine 0 C--O 1.22 -0.73 0 C-N-CA 121.162 -0.542 . . . . 25.0 113.856 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.58 -36.63 83.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.952 0.876 . . . . 25.0 109.973 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.93 -42.06 90.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.39 -44.16 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.18 -37.83 78.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.168 0.509 . . . . 25.0 110.781 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.5 m -68.62 -42.36 78.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.987 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' HA ' HD21 ' A' ' 58' ' ' LEU . 3.3 mt -61.7 -38.84 89.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.912 -0.492 . . . . 25.0 110.531 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -67.3 -35.1 78.76 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.796 -0.638 . . . . 25.0 110.733 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -73.97 -47.99 33.51 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.129 0.789 . . . . 25.0 113.129 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.0 -41.61 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.448 0.536 . . . . 25.0 112.448 -173.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 t -105.44 -26.62 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.954 1.094 . . . . 25.0 113.954 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.85 -173.6 35.11 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 109.096 -1.601 . . . . 25.0 109.096 -174.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.71 15.09 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 116.317 1.969 . . . . 25.0 116.317 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -13.48 62.28 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.118 -0.988 . . . . 25.0 112.388 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.69 159.67 34.57 Favored Glycine 0 C--O 1.225 -0.437 0 N-CA-C 110.247 -1.141 . . . . 25.0 110.247 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -156.98 164.15 38.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.46 147.33 49.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -82.27 -12.85 57.79 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.922 -0.487 . . . . 25.0 111.708 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.212 -0.874 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 174.218 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 107.167 -2.373 . . . . 25.0 107.167 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -54.84 -34.05 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -175.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -70.05 -42.29 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 O-C-N 120.987 -1.07 . . . . 25.0 110.058 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.43 -34.11 77.22 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.362 -0.836 . . . . 25.0 110.525 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.38 -37.83 51.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 114.1 1.148 . . . . 25.0 114.1 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.9 m -108.51 -11.36 15.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 116.585 2.068 . . . . 25.0 116.585 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 t -113.78 -48.2 2.93 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.028 0.376 . . . . 25.0 111.268 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -77.61 -13.36 59.93 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.346 0.593 . . . . 25.0 109.871 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -144.84 173.75 11.59 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 104.851 -2.278 . . . . 25.0 104.851 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.8 t -93.05 153.41 18.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 106.946 -1.501 . . . . 25.0 106.946 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.2 p -141.68 166.65 24.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.384 -0.599 . . . . 25.0 109.384 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -111.01 162.09 15.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.31 -27.81 68.76 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.94 60.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.238 0.542 . . . . 25.0 109.797 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.99 -42.16 98.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.47 0.652 . . . . 25.0 109.78 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 17' ' ' LEU . 5.7 tt -60.56 -44.45 96.13 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.461 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -58.65 -24.36 61.02 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.767 0.655 . . . . 25.0 112.767 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 p -64.0 -16.19 61.05 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -90.67 0.59 57.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.825 0.345 . . . . 25.0 110.759 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.5 t -74.68 150.78 39.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.78 69.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.511 0.56 . . . . 25.0 112.511 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 178.721 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 p . . . . . 0 CA--C 1.516 -0.337 0 N-CA-C 106.644 -1.613 . . . . 25.0 106.644 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.1 tp -127.21 111.74 14.31 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.76 147.17 32.62 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 114.406 1.261 . . . . 25.0 114.406 -172.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 -140.86 21.31 Favored Glycine 0 C--O 1.226 -0.394 0 C-N-CA 120.258 -0.972 . . . . 25.0 112.138 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.62 -32.97 85.97 Favored Glycine 0 C--O 1.221 -0.699 0 C-N-CA 120.95 -0.643 . . . . 25.0 114.653 -175.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -66.84 -30.13 70.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.616 0.708 . . . . 25.0 110.798 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -68.28 -41.1 81.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.44 -40.61 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.55 -43.05 99.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 m -63.81 -39.91 95.36 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.33 -39.26 92.47 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -68.45 -38.64 81.32 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.251 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -68.3 -48.95 63.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.89 -29.26 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -172.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.9 m -118.71 -14.93 9.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.454 1.65 . . . . 25.0 115.454 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' C ' ' H ' ' A' ' 24' ' ' ARG . . . 89.17 174.42 46.44 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 107.843 -2.103 . . . . 25.0 107.843 -172.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -70.69 15.22 0.1 Allowed 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 122.316 1.055 . . . . 25.0 112.61 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 22' ' ' GLY . 23.5 mmm180 -71.61 -1.99 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.157 -0.965 . . . . 25.0 112.029 -174.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.16 146.18 12.81 Favored Glycine 0 N--CA 1.453 -0.181 0 CA-C-O 121.468 0.482 . . . . 25.0 113.56 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.68 166.81 32.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -130.18 157.74 41.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.23 5.25 52.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.262 0.553 . . . . 25.0 110.063 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -178.39 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.988 0 CA-C-O 119.915 -0.38 . . . . 25.0 113.088 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 tp -49.89 -36.07 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.881 0.848 . . . . 25.0 112.935 -175.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.92 -26.29 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.883 -0.599 . . . . 25.0 111.799 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.04 -34.82 78.53 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 121.467 -0.771 . . . . 25.0 110.388 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -91.66 -38.59 12.34 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.9 m -98.34 -14.75 20.03 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 117.038 2.236 . . . . 25.0 117.038 -172.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.6 t -119.12 -45.51 2.55 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.295 0.498 . . . . 25.0 112.191 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -77.55 -17.69 57.65 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -140.04 -174.77 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.228 -2.508 . . . . 25.0 104.228 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.4 p -108.6 153.47 23.35 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 171.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p -138.19 164.09 30.07 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 -174.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.72 152.65 21.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -64.04 -27.49 69.15 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.436 0.636 . . . . 25.0 109.68 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.28 82.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.413 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.89 -44.64 80.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.43 -43.15 79.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.906 -1.043 . . . . 25.0 110.977 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.67 -26.37 44.34 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -65.52 -16.38 63.62 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.87 1.063 . . . . 25.0 113.87 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -85.42 -2.11 57.76 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.0 m -75.83 161.37 29.06 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.966 -0.459 . . . . 25.0 112.108 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.28 -26.4 58.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.722 -0.672 . . . . 25.0 110.294 178.245 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.6 p . . . . . 0 C--O 1.234 0.266 0 N-CA-C 109.665 -0.495 . . . . 25.0 109.665 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -124.96 121.55 34.76 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.87 -34.33 1.01 Allowed 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.401 1.63 . . . . 25.0 115.401 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.22 -146.73 12.41 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 121.234 -0.507 . . . . 25.0 112.849 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.77 -18.36 63.97 Favored Glycine 0 C--O 1.218 -0.892 0 CA-C-O 122.068 0.816 . . . . 25.0 111.245 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -58.53 -29.92 66.68 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.098 0.959 . . . . 25.0 112.03 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -73.22 -41.08 64.17 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.29 -39.59 85.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -62.13 -45.0 95.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 25.0 110.32 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -61.75 -41.4 97.63 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.104 -0.373 . . . . 25.0 111.949 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.75 -37.86 88.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.123 -0.361 . . . . 25.0 110.899 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -67.96 -41.35 82.55 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -65.77 -47.32 75.58 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 58' ' ' LEU . 7.5 p -69.98 -28.88 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -174.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.1 m -120.78 -18.93 7.52 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 117.411 2.374 . . . . 25.0 117.411 -175.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.01 -134.1 52.49 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-O 123.487 1.604 . . . . 25.0 112.826 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.99 -16.37 29.94 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 111.925 -2.137 . . . . 25.0 114.257 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -63.86 -23.85 67.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.486 0.55 . . . . 25.0 112.486 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.34 169.29 31.95 Favored Glycine 0 C--O 1.229 -0.183 0 N-CA-C 111.823 -0.511 . . . . 25.0 111.823 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 44.0 p90 -157.21 167.88 29.05 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.175 -0.603 . . . . 25.0 112.45 -177.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -129.64 158.18 40.04 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -88.86 -15.61 34.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 p . . . . . 0 C--O 1.217 -0.64 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 178.425 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.815 0 N-CA-C 110.882 -0.887 . . . . 25.0 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.3 tp -46.45 -37.87 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.572 1.323 . . . . 25.0 114.572 -176.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 m -65.81 -26.26 38.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 CA-C-N 116.256 -0.429 . . . . 25.0 112.04 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -67.78 -35.63 79.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.166 -0.959 . . . . 25.0 110.899 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -92.53 -29.57 16.13 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 120.222 -0.591 . . . . 25.0 112.188 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.2 m -101.6 -14.13 17.56 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 116.42 2.008 . . . . 25.0 116.42 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.4 t -117.66 -52.72 2.44 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.584 0.629 . . . . 25.0 111.693 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -72.71 -23.07 60.81 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -130.86 -175.77 3.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 105.274 -2.121 . . . . 25.0 105.274 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.9 p -107.9 153.13 23.48 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 105.373 -2.084 . . . . 25.0 105.373 170.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -134.82 159.33 41.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.213 0.53 . . . . 25.0 112.073 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.75 152.56 21.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.86 -27.66 68.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.991 0.424 . . . . 25.0 110.81 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.09 90.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.337 0.589 . . . . 25.0 111.001 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.31 -43.73 73.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 20' ' ' VAL . 1.5 tt -57.31 -42.52 81.97 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.667 -1.151 . . . . 25.0 111.024 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -55.3 -25.64 35.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.7 p -67.14 -21.05 65.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.342 -0.849 . . . . 25.0 112.943 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -81.06 -7.51 59.57 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.191 0.52 . . . . 25.0 111.849 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 72.9 m -70.2 153.11 43.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.477 0.656 . . . . 25.0 111.279 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.32 -29.47 69.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.415 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.8 p . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 172.577 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -135.54 130.93 35.35 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 -178.02 3.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.831 0.348 . . . . 25.0 111.271 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.85 92.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 118.66 2.224 . . . . 25.0 118.66 -171.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.26 -64.34 0.5 Allowed Glycine 0 C--O 1.222 -0.613 0 N-CA-C 109.14 -1.584 . . . . 25.0 109.14 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -67.18 -30.3 70.22 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 122.044 -0.68 . . . . 25.0 109.782 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.06 -35.33 80.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.104 -0.498 . . . . 25.0 111.372 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.97 -40.91 87.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.21 -43.49 98.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -63.22 -40.6 97.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.93 -39.97 95.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.356 . . . . 25.0 111.285 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -66.14 -41.91 89.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -68.41 -45.33 72.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.59 -23.96 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 -172.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.9 t -119.94 -43.78 2.54 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 115.581 1.697 . . . . 25.0 115.581 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.79 -156.9 15.72 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-O 122.962 1.312 . . . . 25.0 112.675 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -79.26 -2.59 41.95 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.544 -1.328 . . . . 25.0 113.704 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -70.12 -4.61 22.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 114.835 1.42 . . . . 25.0 114.835 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.93 157.8 28.18 Favored Glycine 0 C--O 1.22 -0.744 0 N-CA-C 111.739 -0.544 . . . . 25.0 111.739 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -154.27 168.07 27.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 -176.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -119.76 155.9 31.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.1 7.08 47.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.934 0.873 . . . . 25.0 109.534 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' HA3' ' A' ' 43' ' ' GLY . 31.3 p . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 106.97 -1.493 . . . . 25.0 106.97 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 29' ' ' SER . . . . . . . . 0 C--O 1.224 -0.471 0 CA-C-O 119.907 -0.385 . . . . 25.0 112.4 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 tp -55.11 -36.29 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 121.118 0.485 . . . . 25.0 111.399 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -70.39 -26.1 28.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 O-C-N 121.635 -0.666 . . . . 25.0 112.081 -176.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -72.16 -34.02 68.17 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.156 -0.965 . . . . 25.0 109.164 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -89.23 -32.09 17.58 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.859 -0.609 . . . . 25.0 112.267 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.6 m -108.78 -11.69 15.01 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 117.56 2.43 . . . . 25.0 117.56 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -114.35 -52.78 2.7 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.174 0.897 . . . . 25.0 110.674 176.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -72.76 -27.01 61.76 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -123.1 172.07 8.83 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 105.296 -2.112 . . . . 25.0 105.296 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 p -96.55 146.43 24.82 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 105.508 -2.034 . . . . 25.0 105.508 168.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -128.91 162.69 26.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 118.062 0.392 . . . . 25.0 110.776 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -89.88 152.0 21.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.371 -1.714 . . . . 25.0 106.371 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.53 -28.39 69.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.072 0.463 . . . . 25.0 109.948 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.78 -46.08 86.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.986 -0.552 . . . . 25.0 109.989 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.87 -43.23 84.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.66 0.743 . . . . 25.0 109.828 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.48 -44.15 84.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.33 -0.85 . . . . 25.0 111.607 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.97 -30.56 59.33 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 112.894 0.702 . . . . 25.0 112.894 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.4 p -63.67 -19.1 64.63 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.958 1.096 . . . . 25.0 113.958 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -76.07 -5.98 48.99 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 t -67.88 147.94 51.83 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.28 77.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.225 0.536 . . . . 25.0 111.623 -175.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.322 -0.605 0 N-CA-C 104.785 -2.302 . . . . 25.0 104.785 174.638 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.5 mt -122.36 125.96 47.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.112 -0.494 . . . . 25.0 110.006 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.64 165.9 26.13 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.669 -0.493 . . . . 25.0 109.669 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.16 -144.78 44.86 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.063 -0.589 . . . . 25.0 113.198 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.88 71.75 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 121.097 -0.573 . . . . 25.0 113.354 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -64.55 -38.35 90.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.705 0.753 . . . . 25.0 109.905 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 tp -66.2 -43.18 87.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.821 -0.627 . . . . 25.0 109.428 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.02 -42.92 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.249 -0.278 . . . . 25.0 110.249 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -60.56 -35.68 76.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.765 0.317 . . . . 25.0 110.235 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.2 m -72.98 -39.6 65.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.599 -0.44 . . . . 25.0 111.118 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.71 -38.17 89.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.041 0.448 . . . . 25.0 109.968 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -67.77 -39.1 84.15 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.246 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -65.49 -47.33 76.41 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.02 -25.98 26.69 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 88.3 m -103.8 -22.91 13.46 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 116.529 2.048 . . . . 25.0 116.529 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.46 -139.3 47.17 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-O 123.711 1.728 . . . . 25.0 111.341 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.89 -7.95 25.61 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 112.193 -2.004 . . . . 25.0 115.436 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -94.05 -9.55 36.38 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.186 1.55 . . . . 25.0 115.186 -174.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.51 178.24 51.88 Favored Glycine 0 C--N 1.322 -0.246 0 CA-C-O 122.305 0.947 . . . . 25.0 114.883 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -152.63 168.89 24.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.915 -0.643 . . . . 25.0 110.038 -174.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -127.12 133.6 50.36 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.979 -0.749 . . . . 25.0 108.979 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.95 -15.12 63.47 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.803 -0.561 . . . . 25.0 111.926 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.467 0.405 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -178.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.349 0 N-CA-C 109.91 -1.276 . . . . 25.0 109.91 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 tp -58.11 -37.39 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.387 0.514 . . . . 25.0 112.387 -174.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.5 -35.29 74.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.747 -0.596 . . . . 25.0 111.02 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -73.04 -33.89 65.98 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 118.754 -1.179 . . . . 25.0 110.974 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.95 -28.46 22.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 87.7 m -107.15 -14.7 14.85 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 116.504 2.039 . . . . 25.0 116.504 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.4 t -112.57 -50.69 2.88 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.05 0.841 . . . . 25.0 111.402 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -74.08 -15.46 61.06 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.081 0.467 . . . . 25.0 110.51 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -142.44 166.09 25.61 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 104.111 -2.552 . . . . 25.0 104.111 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 p -84.33 152.93 23.8 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.4 p -137.67 -178.81 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -128.75 160.33 32.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.17 -30.9 62.87 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.58 91.34 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.248 0.547 . . . . 25.0 111.253 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.36 -40.82 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 25.0 109.208 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.58 -42.3 96.39 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.297 -0.865 . . . . 25.0 110.858 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -58.13 -22.14 49.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.145 0.795 . . . . 25.0 113.145 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.3 p -68.21 -16.38 63.95 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.239 -0.913 . . . . 25.0 112.512 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -87.54 -6.39 58.36 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.696 0.398 . . . . 25.0 111.748 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.1 154.14 38.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.201 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.99 -36.62 78.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.37 . . . . 25.0 111.031 -177.072 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 CA--C 1.517 -0.326 0 N-CA-C 109.089 -0.708 . . . . 25.0 109.089 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -129.32 125.03 35.82 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -127.31 -168.98 1.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.634 -0.506 . . . . 25.0 109.634 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.81 134.52 1.98 Allowed Glycine 0 CA--C 1.521 0.427 0 N-CA-C 115.747 1.059 . . . . 25.0 115.747 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.48 -69.09 3.43 Favored Glycine 0 C--O 1.226 -0.39 0 O-C-N 122.645 -0.327 . . . . 25.0 112.451 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -62.73 -39.56 94.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.365 0.603 . . . . 25.0 111.863 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.4 tp -63.73 -41.6 98.02 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.034 -0.53 . . . . 25.0 109.809 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.0 -42.82 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.36 -34.57 75.53 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 120.963 0.411 . . . . 25.0 110.449 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 m -73.75 -40.16 63.69 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.034 -0.416 . . . . 25.0 111.506 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.65 -39.43 93.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -66.89 -36.48 82.37 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.593 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -67.94 -50.23 57.13 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.9 -27.87 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 122.114 -0.366 . . . . 25.0 111.952 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.7 m -97.48 -22.43 16.57 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.908 1.077 . . . . 25.0 113.908 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.77 -136.15 41.27 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 108.68 -1.768 . . . . 25.0 108.68 -172.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.79 7.66 4.49 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 112.66 -1.77 . . . . 25.0 113.784 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -93.89 -13.59 27.0 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.34 1.978 . . . . 25.0 116.34 -174.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.67 173.46 45.09 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.449 -0.881 . . . . 25.0 113.832 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -160.34 171.89 18.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -125.64 152.27 45.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.925 -0.768 . . . . 25.0 108.925 177.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.38 -12.1 41.34 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.117 0.484 . . . . 25.0 110.783 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 p . . . . . 0 CA--C 1.513 -0.476 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 178.896 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.281 0 N-CA-C 112.772 -0.131 . . . . 25.0 112.772 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.7 tp -59.75 -37.7 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 122.343 -0.504 . . . . 25.0 111.032 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.98 -33.61 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 121.842 -0.536 . . . . 25.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -73.04 -33.89 65.97 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.633 0.73 . . . . 25.0 109.463 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HG2' HD21 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -78.63 -38.64 39.23 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.949 179.02 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.7 m -104.88 -19.72 13.79 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 117.313 2.338 . . . . 25.0 117.313 -172.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.3 t -104.89 -50.03 3.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.642 1.11 . . . . 25.0 110.991 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -73.94 -21.91 59.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.088 0.47 . . . . 25.0 110.434 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -138.7 171.8 13.81 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 105.865 -1.902 . . . . 25.0 105.865 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -88.52 155.07 19.86 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.2 p -143.92 161.82 37.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -101.59 156.7 17.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.63 -30.41 68.69 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.638 0.256 . . . . 25.0 111.355 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -46.65 76.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.298 0.571 . . . . 25.0 110.133 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.525 HD21 ' HG2' ' A' ' 47' ' ' GLU . 6.9 tt -66.35 -40.18 89.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.14 -43.74 95.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.291 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.06 -21.17 58.73 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 p -67.56 -16.22 64.07 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.251 -0.906 . . . . 25.0 112.621 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -92.13 1.82 56.97 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.864 0.364 . . . . 25.0 111.414 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -74.37 157.11 36.27 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.89 73.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.716 0.293 . . . . 25.0 111.709 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.327 -0.379 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.9 p . . . . . 0 C--O 1.232 0.16 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -128.76 128.2 43.52 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.98 164.85 31.63 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.35 -144.78 48.78 Favored Glycine 0 CA--C 1.516 0.117 0 C-N-CA 120.621 -0.799 . . . . 25.0 112.319 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.12 -23.58 73.06 Favored Glycine 0 C--O 1.217 -0.91 0 C-N-CA 121.112 -0.566 . . . . 25.0 113.739 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -65.77 -33.94 77.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.968 0.884 . . . . 25.0 110.422 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.1 tp -67.73 -41.42 83.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.01 -42.08 94.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -58.57 -43.23 89.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.291 0.567 . . . . 25.0 110.278 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -65.92 -40.34 91.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.978 -0.451 . . . . 25.0 111.878 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.12 -38.81 92.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.128 0.49 . . . . 25.0 109.745 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -68.82 -37.53 79.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.669 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -66.55 -49.12 67.5 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.56 -34.46 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 112.424 0.527 . . . . 25.0 112.424 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -158.9 29.95 0.22 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 115.555 1.687 . . . . 25.0 115.555 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.59 -33.49 77.3 Favored Glycine 0 C--O 1.224 -0.483 0 C-N-CA 120.732 -0.747 . . . . 25.0 113.805 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.18 -35.67 73.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.439 0.638 . . . . 25.0 111.593 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -93.99 -9.6 36.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.894 -0.594 . . . . 25.0 111.744 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.42 160.35 27.49 Favored Glycine 0 C--N 1.321 -0.264 0 N-CA-C 111.705 -0.558 . . . . 25.0 111.705 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -152.24 163.25 39.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.203 -0.587 . . . . 25.0 110.046 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -131.5 132.22 44.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.238 0.542 . . . . 25.0 109.694 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -15.36 62.93 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 C--N 1.327 -0.402 0 N-CA-C 112.411 0.523 . . . . 25.0 112.411 -179.779 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 N-CA-C 109.431 -1.468 . . . . 25.0 109.431 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.13 -32.33 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.501 0.72 . . . . 25.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.0 t -62.88 -33.48 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.273 -0.421 . . . . 25.0 111.54 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -36.74 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.66 -0.65 . . . . 25.0 111.72 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.52 -26.92 16.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.01 0.745 . . . . 25.0 113.01 -175.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.0 m -103.13 -16.5 15.73 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 115.645 1.72 . . . . 25.0 115.645 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.3 t -116.36 -49.19 2.68 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.957 0.799 . . . . 25.0 111.799 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -77.76 -12.72 60.0 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.508 0.671 . . . . 25.0 110.021 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -140.12 -175.3 4.19 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.3 p -109.05 147.01 33.04 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.51 165.1 26.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 25.0 110.444 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -111.8 162.88 14.79 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.5 -27.33 67.52 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.84 61.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.306 0.574 . . . . 25.0 110.289 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.98 -38.69 91.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.708 0.765 . . . . 25.0 109.127 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.14 -43.67 98.33 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.299 -0.864 . . . . 25.0 110.471 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -57.69 -23.82 53.57 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.366 0.603 . . . . 25.0 112.43 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.1 p -67.91 -16.43 64.07 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.052 -1.03 . . . . 25.0 113.148 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -85.73 -5.96 59.19 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.692 0.282 . . . . 25.0 111.513 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.87 161.72 30.51 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.57 75.88 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.477 0.656 . . . . 25.0 110.52 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 176.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 CA--C 1.516 -0.358 0 N-CA-C 107.52 -1.289 . . . . 25.0 107.52 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -137.99 123.52 19.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.36 113.39 8.31 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.871 0.693 . . . . 25.0 112.871 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.37 -142.66 16.32 Favored Glycine 0 C--O 1.227 -0.32 0 C-N-CA 121.136 -0.554 . . . . 25.0 112.611 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.78 -27.48 72.75 Favored Glycine 0 C--O 1.219 -0.819 0 C-N-CA 120.963 -0.637 . . . . 25.0 112.498 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.33 -29.49 70.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.22 0.533 . . . . 25.0 111.156 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 tp -70.29 -40.43 74.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.99 -41.34 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.561 -0.533 . . . . 25.0 109.561 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.79 -48.66 80.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.183 0.516 . . . . 25.0 109.836 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -59.62 -41.69 90.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.262 -0.427 . . . . 25.0 111.665 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.77 -40.62 97.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.396 0.141 . . . . 25.0 111.06 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -66.54 -40.89 89.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.81 -52.69 48.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.262 0.838 . . . . 25.0 113.262 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.513 HG11 HD22 ' A' ' 58' ' ' LEU . 9.2 p -69.95 -30.11 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -174.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 t -97.6 -47.41 5.65 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.577 0.954 . . . . 25.0 113.577 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.32 174.97 37.44 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.743 -1.343 . . . . 25.0 109.743 -173.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.35 8.89 0.13 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 117.608 2.447 . . . . 25.0 117.608 -173.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -8.47 57.46 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.281 -0.887 . . . . 25.0 110.633 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.73 168.55 44.62 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-O 121.566 0.536 . . . . 25.0 113.028 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -154.42 164.76 38.14 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -114.18 140.21 48.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.1 -5.53 59.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.054 0.454 . . . . 25.0 111.217 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' HA3' ' A' ' 43' ' ' GLY . 57.1 m . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 29' ' ' SER . . . . . . . . 0 C--O 1.218 -0.859 0 N-CA-C 110.104 -1.199 . . . . 25.0 110.104 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 tp -56.28 -33.47 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.199 0.523 . . . . 25.0 111.01 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.8 -32.87 59.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 122.135 -0.353 . . . . 25.0 111.636 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.99 -34.07 66.2 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 118.884 -1.126 . . . . 25.0 108.805 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -75.14 -40.15 59.91 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.599 -0.728 . . . . 25.0 112.919 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.7 m -106.34 -9.5 16.75 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 -172.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.0 t -119.95 -44.98 2.49 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.463 0.574 . . . . 25.0 111.566 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -80.42 -13.26 59.28 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -144.43 178.23 8.09 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 p -99.07 153.44 18.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.533 -1.284 . . . . 25.0 107.533 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.0 p -139.62 165.06 28.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.872 0.368 . . . . 25.0 110.34 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.58 159.81 18.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.1 -30.6 68.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.3 0.482 . . . . 25.0 112.3 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.4 87.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.309 0.576 . . . . 25.0 110.474 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.54 -40.83 80.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.736 0.779 . . . . 25.0 108.921 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD22 HG11 ' A' ' 20' ' ' VAL . 1.6 tt -59.48 -44.07 93.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.058 -0.974 . . . . 25.0 111.036 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.41 -31.2 54.59 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.128 0.489 . . . . 25.0 112.219 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.7 p -63.12 -16.12 58.98 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.766 1.025 . . . . 25.0 113.766 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -84.91 -0.38 53.94 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.579 0.585 . . . . 25.0 112.579 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.6 m -56.79 157.13 5.76 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.411 0.624 . . . . 25.0 111.646 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.12 -27.14 61.52 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.131 0.491 . . . . 25.0 110.035 177.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 174.504 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.1 p . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 mt -126.1 121.56 33.25 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -160.62 -177.71 6.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.412 -1.329 . . . . 25.0 107.412 -177.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.61 82.97 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 115.112 0.805 . . . . 25.0 115.112 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.03 -29.98 7.54 Favored Glycine 0 C--O 1.225 -0.453 0 CA-C-O 119.264 -0.742 . . . . 25.0 113.614 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.11 -33.34 74.27 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 118.429 1.115 . . . . 25.0 109.216 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.63 -41.45 90.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.762 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.62 -38.49 76.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -47.25 84.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 175.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.9 m -63.18 -40.38 97.36 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -63.41 -37.65 88.09 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.01 -0.431 . . . . 25.0 110.244 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -68.41 -37.89 80.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.567 0.222 . . . . 25.0 110.601 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.35 -50.88 63.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.789 0.328 . . . . 25.0 111.832 177.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG11 HD22 ' A' ' 58' ' ' LEU . 9.1 p -75.73 -29.02 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 113.517 0.932 . . . . 25.0 113.517 -174.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -158.81 27.59 0.22 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.09 -50.28 69.13 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.227 -0.987 . . . . 25.0 115.367 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.2 -35.24 78.28 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 122.034 0.921 . . . . 25.0 111.151 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -83.35 -3.74 57.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.21 -0.905 . . . . 25.0 112.275 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.97 155.03 7.4 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 121.376 0.431 . . . . 25.0 112.58 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -155.58 164.34 38.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -126.59 159.01 34.75 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.33 5.79 49.28 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.643 0.735 . . . . 25.0 110.245 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 p . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 105.975 -1.861 . . . . 25.0 105.975 -178.676 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.333 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 tp -66.76 -34.74 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.338 -0.616 . . . . 25.0 109.338 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.23 -39.38 85.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 CA-C-O 121.845 0.831 . . . . 25.0 109.862 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -72.84 -34.03 66.53 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.684 -0.635 . . . . 25.0 111.712 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.55 -32.41 28.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 178.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.1 m -110.84 -14.98 13.9 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 116.423 2.008 . . . . 25.0 116.423 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 45.9 t -112.36 -49.49 2.96 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.204 0.911 . . . . 25.0 110.687 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -77.27 -14.04 59.83 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.133 0.492 . . . . 25.0 110.178 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -139.58 176.59 8.59 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.679 -1.6 . . . . 25.0 106.679 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.5 p -96.93 147.2 24.22 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.7 p -142.6 177.99 7.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.888 -0.782 . . . . 25.0 108.888 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -133.55 162.56 31.58 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -56.02 -30.98 62.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.295 0.85 . . . . 25.0 113.295 -175.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.52 80.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.948 0.404 . . . . 25.0 110.739 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 tt -69.27 -41.03 77.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.897 0.856 . . . . 25.0 109.562 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.46 HD22 HG11 ' A' ' 20' ' ' VAL . 1.9 tt -58.23 -43.27 87.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.237 -0.892 . . . . 25.0 110.674 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.39 -19.92 57.67 Favored 'General case' 0 C--O 1.199 -1.592 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.8 p -65.58 -16.71 63.97 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -89.23 1.94 54.98 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.067 0.461 . . . . 25.0 111.885 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.4 t -65.49 154.41 38.63 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.57 -35.4 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.738 0.304 . . . . 25.0 111.158 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 176.262 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.4 p . . . . . 0 C--O 1.239 0.524 0 CA-C-O 120.918 0.39 . . . . 25.0 111.313 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 mt -141.82 129.62 21.72 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.0 m -142.75 161.94 36.78 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.822 0.344 . . . . 25.0 110.609 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.4 -144.81 48.81 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.989 -0.624 . . . . 25.0 112.567 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.77 -23.72 70.94 Favored Glycine 0 C--O 1.212 -1.244 0 C-N-CA 121.169 -0.539 . . . . 25.0 113.311 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.41 -33.69 76.54 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 117.93 0.865 . . . . 25.0 110.612 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 tp -66.93 -42.49 85.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.22 -41.62 92.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -46.43 84.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.146 0.498 . . . . 25.0 110.1 177.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -62.75 -40.75 98.21 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.561 -0.456 . . . . 25.0 111.993 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -65.12 -38.68 91.43 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.117 -0.364 . . . . 25.0 110.479 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -67.0 -35.9 80.97 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -69.03 -50.85 44.99 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG11 HD22 ' A' ' 58' ' ' LEU . 9.8 p -76.27 -30.22 19.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 113.256 0.836 . . . . 25.0 113.256 -173.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.6 m -102.54 -17.48 15.73 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.157 0.799 . . . . 25.0 113.157 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.4 178.4 49.67 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 109.585 -1.406 . . . . 25.0 109.585 -174.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -70.32 10.11 0.5 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.585 -0.808 . . . . 25.0 112.113 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -82.89 -9.9 59.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.865 -0.522 . . . . 25.0 111.187 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.89 161.58 25.71 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-O 122.558 1.088 . . . . 25.0 114.911 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -157.41 166.11 33.92 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.817 -1.92 . . . . 25.0 105.817 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -115.95 144.4 44.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.7 4.83 42.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.679 0.752 . . . . 25.0 110.06 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.218 -0.554 0 N-CA-C 105.594 -2.002 . . . . 25.0 105.594 179.758 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.208 0 N-CA-C 113.491 0.156 . . . . 25.0 113.491 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 tp -63.08 -35.11 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.961 -0.729 . . . . 25.0 109.948 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.01 -37.12 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.687 0.756 . . . . 25.0 110.203 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.7 -33.96 69.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.221 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.36 -33.89 19.0 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -103.07 -20.1 14.31 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 115.498 1.666 . . . . 25.0 115.498 -175.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.6 t -110.51 -44.36 3.7 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.41 1.005 . . . . 25.0 111.182 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -82.76 -16.11 49.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.55 0.69 . . . . 25.0 110.571 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -138.27 -179.39 5.76 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.916 -1.883 . . . . 25.0 105.916 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 p -98.14 149.75 22.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.3 0.571 . . . . 25.0 109.725 174.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.9 p -142.14 176.59 8.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -132.68 161.32 34.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 105.397 -2.075 . . . . 25.0 105.397 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.83 -32.27 52.27 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 113.357 0.873 . . . . 25.0 113.357 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.13 82.4 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.96 0.41 . . . . 25.0 111.732 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.25 -40.43 81.95 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 122.034 0.921 . . . . 25.0 109.278 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.496 HD22 HG11 ' A' ' 20' ' ' VAL . 2.0 tt -59.85 -43.09 94.83 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.018 -0.992 . . . . 25.0 110.6 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -58.24 -23.84 57.31 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.66 1.219 . . . . 25.0 113.69 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.6 p -60.16 -21.52 61.76 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 174.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -86.66 -4.11 59.13 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.375 1.25 . . . . 25.0 114.375 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.2 146.84 53.61 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.051 0.387 . . . . 25.0 110.646 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.32 -22.87 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.096 0.474 . . . . 25.0 111.178 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.088 -0.505 . . . . 25.0 109.667 -179.563 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 121.461 0.648 . . . . 25.0 109.422 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.5 mt -110.31 123.93 50.73 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.392 -0.822 . . . . 25.0 110.011 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.3 m -133.79 158.84 42.34 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.595 -0.73 . . . . 25.0 110.099 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.56 -142.34 47.75 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.646 -0.788 . . . . 25.0 112.465 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.93 -24.86 70.38 Favored Glycine 0 C--O 1.219 -0.81 0 C-N-CA 121.432 -0.413 . . . . 25.0 113.184 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.38 -38.03 79.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.845 0.831 . . . . 25.0 110.825 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.5 tp -70.58 -41.24 72.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.559 -0.746 . . . . 25.0 109.81 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.85 -44.19 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.134 -0.484 . . . . 25.0 110.109 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' HA ' HE21 ' A' ' 18' ' ' GLN . 55.7 m-20 -62.54 -36.06 81.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.697 0.284 . . . . 25.0 110.906 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 m -67.92 -40.69 83.35 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.811 -0.355 . . . . 25.0 111.103 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.61 -38.54 91.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.492 HE21 ' HA ' ' A' ' 15' ' ' ASP . 32.4 mt-30 -66.31 -41.51 89.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -65.45 -48.86 71.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.01 -30.32 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.023 0.439 . . . . 25.0 111.686 -175.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -91.81 -41.49 10.62 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 113.167 0.803 . . . . 25.0 113.167 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.52 -159.01 33.03 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 104.907 -3.277 . . . . 25.0 104.907 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -66.29 3.62 0.88 Allowed 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -80.08 -10.61 59.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.227 -0.92 . . . . 25.0 113.21 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.85 170.44 45.84 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 115.112 0.805 . . . . 25.0 115.112 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -155.65 170.95 20.83 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.8 0.44 . . . . 25.0 110.038 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -118.36 155.97 29.76 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.18 -0.99 52.68 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.372 0.606 . . . . 25.0 110.038 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 C--O 1.216 -0.685 0 N-CA-C 106.172 -1.788 . . . . 25.0 106.172 178.597 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 N-CA-C 110.737 -0.945 . . . . 25.0 110.737 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -56.38 -29.57 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 117.133 0.466 . . . . 25.0 111.374 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -67.7 -30.94 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 121.719 -0.613 . . . . 25.0 111.143 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -68.94 -36.45 77.96 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -79.59 -43.6 22.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.767 -0.652 . . . . 25.0 112.375 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.7 m -108.59 -13.9 14.73 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 116.463 2.023 . . . . 25.0 116.463 -170.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -109.17 -45.01 3.83 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.274 0.943 . . . . 25.0 110.708 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -83.78 -16.01 46.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.349 0.595 . . . . 25.0 110.561 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -138.45 173.87 11.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.354 -2.091 . . . . 25.0 105.354 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 p -92.99 153.24 18.86 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.5 p -141.87 164.24 30.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.197 0.523 . . . . 25.0 111.321 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -108.54 157.99 17.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -59.09 -29.3 67.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.51 82.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.2 0.524 . . . . 25.0 110.305 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.76 -42.17 86.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.963 0.887 . . . . 25.0 109.071 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tt -58.9 -42.95 90.81 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.06 -0.973 . . . . 25.0 110.82 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -57.84 -21.04 40.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.0 p -68.09 -16.2 63.91 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.282 -0.886 . . . . 25.0 112.465 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -93.89 -0.68 55.57 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.691 0.396 . . . . 25.0 110.887 175.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.8 t -72.52 156.35 39.11 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.36 -20.63 60.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.821 0.343 . . . . 25.0 111.021 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.5 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.523 -178.24 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.43 ' HB ' ' HA ' ' A' ' 49' ' ' CYS . 1.1 p . . . . . 0 C--O 1.236 0.351 0 CA-C-O 121.421 0.629 . . . . 25.0 110.795 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -102.41 114.32 28.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.288 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -125.28 -57.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.942 1.46 . . . . 25.0 114.942 -174.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.89 -134.67 6.49 Favored Glycine 0 C--O 1.222 -0.619 0 CA-C-N 116.323 -0.399 . . . . 25.0 113.363 -175.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.33 -24.48 55.78 Favored Glycine 0 C--O 1.216 -1.024 0 C-N-CA 121.217 -0.516 . . . . 25.0 113.45 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.92 -32.94 73.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.15 -0.618 . . . . 25.0 111.767 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.34 -40.35 70.77 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.36 -43.76 98.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.34 -47.12 82.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.287 0.565 . . . . 25.0 110.575 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -64.07 -38.73 92.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.958 0.408 . . . . 25.0 111.945 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.23 -38.79 91.49 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.092 -0.38 . . . . 25.0 110.114 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.34 -39.17 81.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.63 -47.23 82.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.7 -25.57 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 -175.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.6 m -99.18 -29.63 12.73 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.303 1.964 . . . . 25.0 116.303 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.95 -172.52 54.33 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 108.128 -1.989 . . . . 25.0 108.128 -168.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.95 -3.94 2.94 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.963 1.468 . . . . 25.0 114.963 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -80.54 -5.93 57.47 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.045 1.128 . . . . 25.0 114.045 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.95 179.21 50.0 Favored Glycine 0 C--O 1.228 -0.259 0 N-CA-C 116.663 1.425 . . . . 25.0 116.663 173.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -158.77 170.9 21.11 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.321 -1.363 . . . . 25.0 107.321 -174.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.58 130.0 53.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 175.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -46.25 64.77 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 176.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 114.425 1.268 . . . . 25.0 114.425 -176.592 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 N-CA-C 114.945 0.738 . . . . 25.0 114.945 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.46 -41.63 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 118.222 1.011 . . . . 25.0 113.254 -173.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.02 -30.96 24.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 O-C-N 121.16 -0.962 . . . . 25.0 109.69 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -73.35 -34.01 65.4 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.201 -0.937 . . . . 25.0 110.99 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -84.63 -20.98 30.49 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.2 m -110.02 -13.3 14.42 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.312 1.597 . . . . 25.0 115.312 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.43 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 42.3 t -112.74 -50.76 2.87 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -78.03 -17.47 57.03 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.486 0.66 . . . . 25.0 109.523 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -143.04 171.05 14.58 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 104.11 -2.552 . . . . 25.0 104.11 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -91.54 158.19 16.6 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -140.05 160.87 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -96.54 155.01 16.95 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.977 -1.12 . . . . 25.0 107.977 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -59.08 -29.95 67.72 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 120.651 0.263 . . . . 25.0 110.952 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.81 75.63 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.019 0.438 . . . . 25.0 110.749 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.56 -40.44 80.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.741 0.781 . . . . 25.0 109.84 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.76 -42.52 93.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.221 -0.899 . . . . 25.0 110.066 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -57.5 -25.01 59.16 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -177.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.8 p -63.7 -16.1 60.17 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -86.76 0.63 54.38 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 112.16 0.429 . . . . 25.0 112.16 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 t -64.99 161.03 19.47 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.11 -20.11 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.329 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 p . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 111.946 0.35 . . . . 25.0 111.946 -176.702 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 CA--C 1.519 -0.25 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 mt -135.51 130.54 34.79 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.519 0.728 . . . . 25.0 109.73 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.05 -179.65 8.23 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.483 . . . . 25.0 109.697 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.45 33.11 74.87 Favored Glycine 0 C--O 1.219 -0.828 0 N-CA-C 116.191 1.237 . . . . 25.0 116.191 171.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.32 -25.97 17.81 Favored Glycine 0 C--O 1.219 -0.798 0 C-N-CA 120.843 -0.694 . . . . 25.0 113.447 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -63.68 -29.24 70.5 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 122.187 0.994 . . . . 25.0 109.106 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 tp -62.41 -40.39 96.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.363 -0.835 . . . . 25.0 110.416 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.66 -39.41 78.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.21 -44.06 87.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.776 0.798 . . . . 25.0 109.63 176.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -65.05 -40.19 94.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.72 -0.612 . . . . 25.0 112.262 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.08 -37.91 89.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.67 -40.49 84.43 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.83 -50.45 66.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.403 HG11 HD22 ' A' ' 58' ' ' LEU . 7.2 p -68.24 -26.29 33.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 O-C-N 121.872 -0.517 . . . . 25.0 112.187 -175.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.9 m -102.38 -41.03 6.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 115.368 1.618 . . . . 25.0 115.368 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.34 -150.12 46.56 Favored Glycine 0 N--CA 1.432 -1.625 0 N-CA-C 108.735 -1.746 . . . . 25.0 108.735 -172.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.47 -19.7 26.01 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 112.55 -1.825 . . . . 25.0 115.921 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -73.59 -14.48 61.2 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.627 -0.671 . . . . 25.0 112.797 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.09 173.96 49.21 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 115.059 0.783 . . . . 25.0 115.059 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -157.4 170.37 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 -176.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -134.78 157.02 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.225 -0.658 . . . . 25.0 109.225 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.99 -13.6 52.89 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.716 0.77 . . . . 25.0 111.017 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.7 p . . . . . 0 C--O 1.216 -0.662 0 N-CA-C 104.146 -2.539 . . . . 25.0 104.146 177.086 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.065 0 CA-C-O 120.301 -0.166 . . . . 25.0 113.11 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.429 HD11 ' HG ' ' A' ' 58' ' ' LEU . 7.2 tp -59.12 -35.29 56.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.206 0.527 . . . . 25.0 111.724 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.31 -38.0 78.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 121.581 -0.7 . . . . 25.0 111.259 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -73.04 -33.88 65.96 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.267 -0.973 . . . . 25.0 111.09 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.31 -23.1 30.41 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 94.7 m -110.49 -19.0 13.09 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 115.048 1.499 . . . . 25.0 115.048 -177.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.0 t -106.57 -52.05 2.85 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.905 0.775 . . . . 25.0 110.721 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -78.69 -15.72 58.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.293 0.568 . . . . 25.0 110.765 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -140.69 168.61 19.39 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 105.386 -2.079 . . . . 25.0 105.386 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.7 p -90.17 150.52 21.98 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.7 p -139.78 167.97 20.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.195 0.521 . . . . 25.0 110.266 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -120.6 157.01 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.19 -31.94 61.8 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 113.408 0.892 . . . . 25.0 113.408 -178.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.67 96.03 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.168 0.509 . . . . 25.0 111.473 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -72.17 -39.57 68.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.807 0.813 . . . . 25.0 109.413 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' A' ' 44' ' ' ILE . 2.3 tt -59.69 -43.25 94.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.08 -0.964 . . . . 25.0 109.921 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -56.48 -20.94 22.52 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.7 p -68.27 -16.11 63.83 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.254 -0.903 . . . . 25.0 112.725 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -94.27 2.04 55.91 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.348 0.594 . . . . 25.0 111.059 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.52 162.51 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.18 -28.96 69.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 122.206 -0.309 . . . . 25.0 111.275 -179.683 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.234 0.283 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.65 100.26 8.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.905 0.86 . . . . 25.0 110.395 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -149.54 -166.03 2.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.236 -0.893 . . . . 25.0 110.033 -174.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.22 32.33 83.5 Favored Glycine 0 C--O 1.219 -0.813 0 N-CA-C 115.168 0.827 . . . . 25.0 115.168 171.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.85 -28.18 5.59 Favored Glycine 0 C--O 1.227 -0.318 0 C-N-CA 120.867 -0.683 . . . . 25.0 113.024 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -65.7 -23.87 66.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.917 0.858 . . . . 25.0 109.549 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.9 tp -59.51 -43.94 93.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.534 -0.303 . . . . 25.0 110.547 173.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.48 -40.89 85.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -57.57 -40.75 79.65 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.5 0.667 . . . . 25.0 109.831 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -69.78 -39.73 76.46 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 121.724 -0.61 . . . . 25.0 112.458 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.58 -38.64 90.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.33 -37.41 80.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.893 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -66.97 -47.87 70.24 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.91 -0.494 . . . . 25.0 112.101 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.65 -32.07 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -160.31 33.85 0.17 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.485 1.661 . . . . 25.0 115.485 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.09 -27.09 68.34 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.646 -0.788 . . . . 25.0 113.979 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -74.26 -18.54 60.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.944 0.402 . . . . 25.0 111.305 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -93.89 -25.83 17.15 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 120.99 0.424 . . . . 25.0 110.59 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.18 160.81 35.69 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 108.697 -1.761 . . . . 25.0 108.697 -171.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -155.78 166.81 32.38 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -130.86 160.97 32.86 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.43 -1.88 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.11 0.481 . . . . 25.0 111.387 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 105.969 -1.863 . . . . 25.0 105.969 175.579 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.377 0 N-CA-C 110.466 -1.054 . . . . 25.0 110.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.5 HD11 ' HG ' ' A' ' 58' ' ' LEU . 4.4 tp -59.09 -41.25 82.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.883 0.373 . . . . 25.0 110.114 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.15 -32.94 59.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.95 0.405 . . . . 25.0 110.609 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.94 -33.54 65.99 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 119.557 -0.857 . . . . 25.0 110.425 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -83.53 -35.69 24.62 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -101.59 -19.61 15.39 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 116.462 2.023 . . . . 25.0 116.462 -173.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.4 t -112.32 -45.29 3.28 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.252 0.478 . . . . 25.0 111.507 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -79.04 -15.37 58.32 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.958 0.409 . . . . 25.0 110.019 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -144.47 -179.62 6.67 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 104.117 -2.549 . . . . 25.0 104.117 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 m -96.94 153.02 18.15 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 175.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.3 p -143.72 164.94 29.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 25.0 110.764 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -103.62 156.83 17.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.534 -0.757 . . . . 25.0 109.572 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.85 -29.66 63.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.423 0.289 . . . . 25.0 111.633 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.72 -48.5 63.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 25.0 110.596 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.98 -40.03 87.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.777 0.798 . . . . 25.0 109.853 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' HG ' HD11 ' A' ' 44' ' ' ILE . 3.0 tt -58.07 -44.85 87.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.037 -0.983 . . . . 25.0 110.035 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -60.89 -19.25 60.08 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.288 0.847 . . . . 25.0 113.288 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.9 p -69.57 -16.05 63.34 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.069 -1.019 . . . . 25.0 112.866 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -86.44 1.54 50.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.96 0.409 . . . . 25.0 112.047 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.3 m -74.62 162.19 28.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.876 -0.787 . . . . 25.0 108.876 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -18.68 64.42 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.026 0.441 . . . . 25.0 111.38 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 p . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 174.778 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.236 0.35 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.66 98.87 12.02 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.35 1.072 . . . . 25.0 110.185 -174.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.41 -168.5 3.12 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.259 -1.337 . . . . 25.0 110.319 -172.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.33 28.86 73.99 Favored Glycine 0 C--O 1.219 -0.795 0 N-CA-C 114.975 0.75 . . . . 25.0 114.975 173.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.93 -27.4 6.7 Favored Glycine 0 C--O 1.225 -0.457 0 CA-C-O 119.348 -0.695 . . . . 25.0 113.235 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -64.78 -23.57 67.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.24 1.02 . . . . 25.0 109.408 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.03 -41.03 82.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.71 174.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.26 -40.14 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.179 -0.675 . . . . 25.0 109.179 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.61 -39.95 93.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.408 0.623 . . . . 25.0 109.516 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -65.74 -41.65 91.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.827 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.27 -36.93 81.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.491 0.662 . . . . 25.0 109.825 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -70.65 -33.45 70.98 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.066 -0.515 . . . . 25.0 111.196 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -73.86 -49.41 25.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.455 HG11 HD22 ' A' ' 58' ' ' LEU . 9.9 p -73.36 -27.51 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -174.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 m -130.85 -54.47 1.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.58 -102.21 0.18 Allowed Glycine 0 CA--C 1.517 0.208 0 N-CA-C 115.877 1.111 . . . . 25.0 115.877 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.5 -13.6 62.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.827 0.451 . . . . 25.0 112.063 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -71.39 -15.5 62.37 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 174.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.14 157.1 13.67 Favored Glycine 0 C--O 1.226 -0.362 0 N-CA-C 110.113 -1.195 . . . . 25.0 110.113 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 51.3 p90 -160.12 160.62 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.679 0.739 . . . . 25.0 110.572 178.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -131.38 161.17 33.01 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.385 -0.968 . . . . 25.0 108.385 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.34 -50.75 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 106.038 -1.838 . . . . 25.0 106.038 172.86 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.522 0 N-CA-C 112.154 -0.378 . . . . 25.0 112.154 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 tp -58.91 -32.04 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 117.339 0.57 . . . . 25.0 111.682 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.83 -36.09 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.542 0.687 . . . . 25.0 110.259 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.77 -38.17 70.37 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.723 -0.611 . . . . 25.0 110.418 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.45 -29.69 27.86 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.857 1.429 . . . . 25.0 114.857 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.6 m -109.45 -17.19 13.83 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.982 1.845 . . . . 25.0 115.982 -175.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.0 t -114.69 -44.07 3.1 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -82.95 -15.92 49.41 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.97 0.891 . . . . 25.0 109.003 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -127.84 -159.71 0.96 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.291 -3.225 . . . . 25.0 102.291 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 t -136.76 150.92 48.66 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 104.748 -2.316 . . . . 25.0 104.748 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.406 ' HB2' HD22 ' A' ' 57' ' ' LEU . 22.5 p -136.84 163.44 30.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.098 0.475 . . . . 25.0 111.938 -172.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -99.68 160.58 14.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 174.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.65 -30.43 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.13 91.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.157 0.504 . . . . 25.0 110.475 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.406 HD22 ' HB2' ' A' ' 53' ' ' CYS . 6.8 tt -68.95 -41.7 77.66 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.455 HD22 HG11 ' A' ' 20' ' ' VAL . 2.0 tt -58.89 -42.66 90.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.616 -0.72 . . . . 25.0 110.611 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -56.95 -24.08 50.24 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 p -68.04 -16.33 63.98 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.237 -0.915 . . . . 25.0 113.219 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -89.74 1.95 55.46 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.108 0.48 . . . . 25.0 110.921 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 81.5 m -77.85 158.1 29.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 25.0 110.949 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.11 -28.47 62.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.198 -0.456 . . . . 25.0 112.225 -173.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 175.539 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 106.395 -1.706 . . . . 25.0 106.395 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.86 110.95 17.35 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.78 -1.192 . . . . 25.0 107.78 -176.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.85 -163.1 1.5 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.338 -170.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.49 29.28 72.99 Favored Glycine 0 C--O 1.218 -0.9 0 N-CA-C 115.23 0.852 . . . . 25.0 115.23 174.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.14 -28.3 6.24 Favored Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.923 -0.655 . . . . 25.0 112.739 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -63.86 -25.01 67.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.606 0.703 . . . . 25.0 109.492 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.41 -39.73 88.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.843 175.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.05 -40.56 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -37.92 87.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.477 0.656 . . . . 25.0 109.79 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -67.72 -40.45 84.26 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.547 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.68 -36.96 84.59 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -69.01 -37.95 78.95 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.468 -0.333 . . . . 25.0 110.822 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -68.24 -48.2 65.73 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -74.13 -31.1 28.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 O-C-N 122.207 -0.308 . . . . 25.0 111.623 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.6 m -129.85 -56.14 1.13 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.597 1.332 . . . . 25.0 114.597 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.62 -106.51 0.6 Allowed Glycine 0 N--CA 1.462 0.385 0 N-CA-C 115.665 1.026 . . . . 25.0 115.665 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -59.13 -28.37 66.49 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.72 0.808 . . . . 25.0 112.54 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -64.06 -16.62 62.12 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.395 -0.366 . . . . 25.0 111.143 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.94 147.37 10.1 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.278 -1.129 . . . . 25.0 110.278 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.525 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 48.4 p90 -158.13 163.47 37.57 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -136.2 158.72 43.74 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.32 -12.0 59.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 174.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.214 -0.769 0 CA-C-N 115.503 -0.771 . . . . 25.0 111.459 -176.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.556 0 CA-C-O 120.068 -0.295 . . . . 25.0 113.192 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.402 HD11 ' HG ' ' A' ' 58' ' ' LEU . 4.1 tp -51.18 -33.88 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.511 0.724 . . . . 25.0 112.112 -176.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 m -68.92 -26.21 31.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 121.888 -0.507 . . . . 25.0 112.169 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.7 -33.97 73.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 -177.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.65 -36.21 14.51 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 113.498 0.925 . . . . 25.0 113.498 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.7 m -108.71 -10.89 15.13 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 117.131 2.271 . . . . 25.0 117.131 -173.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.6 t -116.27 -46.97 2.77 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.393 0.997 . . . . 25.0 111.513 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -80.93 -15.15 57.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.136 -0.69 . . . . 25.0 109.136 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -136.3 168.65 19.03 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 p -92.04 154.01 19.04 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.3 p -145.88 160.86 41.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.552 0.691 . . . . 25.0 112.781 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -89.07 156.02 19.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.009 -0.996 . . . . 25.0 108.447 175.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.08 -29.65 68.71 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 120.627 0.251 . . . . 25.0 110.495 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.98 -42.45 80.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.049 0.452 . . . . 25.0 111.081 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.03 -42.8 75.88 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.825 -0.805 . . . . 25.0 108.825 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HG ' HD11 ' A' ' 44' ' ' ILE . 2.9 tt -57.84 -42.09 83.69 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.011 -0.995 . . . . 25.0 110.052 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -57.36 -24.27 54.26 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.5 p -67.05 -19.52 65.69 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.389 -0.819 . . . . 25.0 113.16 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -79.67 0.33 30.74 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.415 0.626 . . . . 25.0 112.255 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 71.0 m -77.67 165.91 23.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.672 0.748 . . . . 25.0 111.131 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.23 -23.45 61.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 C--N 1.323 -0.562 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 172.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.927 0 CA-C-O 122.612 1.196 . . . . 25.0 113.932 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -107.67 168.6 9.15 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -68.89 148.67 97.96 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -59.05 -28.27 87.37 Favored 'Trans proline' 0 C--N 1.347 0.477 0 O-C-N 122.025 0.487 . . . . 25.0 112.18 172.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -144.45 113.35 6.78 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 105.442 -2.059 . . . . 25.0 105.442 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -85.09 -13.42 50.39 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.478 -1.304 . . . . 25.0 107.478 174.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.1 p -84.14 165.84 18.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.668 -1.151 . . . . 25.0 110.211 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -128.51 127.68 42.88 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 122.792 0.437 . . . . 25.0 110.243 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 88.2 m -132.51 -47.01 0.89 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 115.69 1.737 . . . . 25.0 115.69 -174.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.81 -132.95 7.55 Favored Glycine 0 C--O 1.229 -0.164 0 CA-C-O 121.622 0.568 . . . . 25.0 114.03 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.33 -26.6 70.74 Favored Glycine 0 C--O 1.219 -0.811 0 C-N-CA 121.016 -0.612 . . . . 25.0 111.717 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 pm0 -66.37 -26.5 67.3 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.795 0.295 . . . . 25.0 111.795 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.7 tp -72.36 -42.6 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.0 t -64.18 -39.69 86.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.35 -45.36 93.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 25.0 110.055 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.8 m -62.68 -40.11 96.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.805 0.336 . . . . 25.0 111.676 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.74 -38.46 91.18 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.213 -0.305 . . . . 25.0 110.439 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -67.47 -40.46 85.31 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -63.83 -50.42 68.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.05 -30.24 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 121.109 0.481 . . . . 25.0 111.534 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -89.64 -33.98 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.27 -136.77 30.57 Favored Glycine 0 N--CA 1.433 -1.505 0 N-CA-C 105.164 -3.174 . . . . 25.0 105.164 -169.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -79.09 2.21 21.53 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.968 -1.116 . . . . 25.0 113.355 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 -72.25 -21.1 61.43 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 121.051 -1.031 . . . . 25.0 113.116 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.95 163.46 30.15 Favored Glycine 0 C--O 1.223 -0.536 0 C-N-CA 121.193 -0.527 . . . . 25.0 112.691 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -152.09 170.5 19.79 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.577 0.688 . . . . 25.0 111.284 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.93 143.88 51.1 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.77 -16.76 43.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.552 0.691 . . . . 25.0 109.612 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -103.54 152.06 22.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.415 -0.812 . . . . 25.0 108.913 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.55 -53.54 64.74 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 120.176 -0.61 . . . . 25.0 112.258 175.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -74.97 142.22 27.67 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 117.832 -0.979 . . . . 25.0 111.708 173.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.53 -37.34 79.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.194 0.521 . . . . 25.0 111.439 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 t 60.76 -171.34 0.14 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.066 -0.97 . . . . 25.0 110.482 -175.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -146.18 21.71 1.38 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.482 0.658 . . . . 25.0 110.312 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.61 95.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 -177.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 m -72.99 71.65 1.09 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.936 -1.029 . . . . 25.0 113.019 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -84.32 169.16 14.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.947 -1.131 . . . . 25.0 107.947 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -75.32 -0.71 20.63 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 111.99 0.367 . . . . 25.0 111.99 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -120.73 83.9 36.6 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 122.678 0.391 . . . . 25.0 110.473 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.36 171.88 17.26 Favored 'Trans proline' 0 C--N 1.345 0.374 0 O-C-N 121.808 0.373 . . . . 25.0 111.847 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -77.75 171.86 14.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 173.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -68.81 160.16 31.06 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 116.444 -0.343 . . . . 25.0 110.264 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 175.39 -113.04 0.43 Allowed Glycine 0 C--O 1.219 -0.796 0 N-CA-C 117.513 1.765 . . . . 25.0 117.513 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.0 tp -57.98 -34.8 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 N-CA-C 114.232 1.197 . . . . 25.0 114.232 -169.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 t -64.41 -31.0 51.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.289 0.566 . . . . 25.0 110.734 -176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.26 -40.23 93.66 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.01 -0.431 . . . . 25.0 111.346 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -90.92 -29.69 17.32 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.3 m -102.29 -15.62 16.54 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 115.238 1.57 . . . . 25.0 115.238 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -115.8 -50.79 2.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.156 0.435 . . . . 25.0 111.803 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -76.97 -16.37 59.36 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.285 0.564 . . . . 25.0 109.822 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -135.5 -170.94 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 105.534 -2.024 . . . . 25.0 105.534 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.4 p -114.23 142.92 45.66 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -127.59 176.93 7.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.237 0.335 . . . . 25.0 110.282 -177.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -121.98 159.56 26.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -58.82 -31.46 68.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.118 0.414 . . . . 25.0 112.118 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.92 89.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.283 0.563 . . . . 25.0 110.708 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.55 -39.01 77.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.625 0.726 . . . . 25.0 109.213 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.48 -43.18 97.25 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.484 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.21 -18.12 56.65 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.8 p -69.12 -16.31 63.63 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.082 -1.011 . . . . 25.0 112.14 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -90.96 -1.46 57.82 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.363 0.602 . . . . 25.0 110.849 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.75 158.7 34.14 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.02 -31.61 72.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.901 0.381 . . . . 25.0 111.007 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p -138.99 153.26 71.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 107.867 -1.16 . . . . 25.0 107.867 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -74.99 -178.84 4.44 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 120.685 0.923 . . . . 25.0 113.603 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.57 139.53 25.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.413 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -112.6 10.12 19.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 122.161 0.981 . . . . 25.0 109.895 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.5 t -86.99 89.68 8.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.738 -1.119 . . . . 25.0 109.343 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 . . . . . 0 C--O 1.302 3.844 0 CA-C-O 113.113 -3.327 . . . . 25.0 111.447 -179.42 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 123.393 1.568 . . . . 25.0 114.344 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -104.8 160.66 14.82 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.266 -0.879 . . . . 25.0 109.15 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.92 151.26 97.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.28 -31.25 94.8 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 N-CA-C 114.491 0.92 . . . . 25.0 114.491 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -96.28 38.49 1.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 114.774 1.398 . . . . 25.0 114.774 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -95.03 -31.67 13.49 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.784 -0.366 . . . . 25.0 110.792 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.4 p -125.71 151.2 46.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 -174.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.8 mt -135.44 129.44 33.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.119 -0.946 . . . . 25.0 108.636 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -148.46 164.75 33.22 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.898 -0.321 . . . . 25.0 110.161 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.25 -144.35 45.37 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 121.035 -0.602 . . . . 25.0 112.395 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.46 -22.65 71.49 Favored Glycine 0 C--O 1.219 -0.791 0 C-N-CA 121.132 -0.556 . . . . 25.0 113.597 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.67 -37.55 86.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.645 0.723 . . . . 25.0 109.68 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.5 tp -66.8 -42.05 86.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.61 -43.86 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.98 -37.62 80.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.99 0.424 . . . . 25.0 110.628 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.5 m -70.67 -39.6 73.45 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.728 -0.389 . . . . 25.0 111.865 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.14 -37.75 86.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.49 0.662 . . . . 25.0 109.591 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -69.97 -33.18 71.75 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.824 -0.625 . . . . 25.0 111.281 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -74.11 -47.11 38.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.409 HG11 HD22 ' A' ' 58' ' ' LEU . 9.9 p -73.84 -25.97 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 -174.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.4 m -137.18 -53.85 0.69 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.43 -100.2 0.09 OUTLIER Glycine 0 N--CA 1.464 0.527 0 N-CA-C 115.924 1.13 . . . . 25.0 115.924 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.82 -32.22 63.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.954 0.902 . . . . 25.0 112.048 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -72.56 -5.39 36.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 25.0 112.128 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.58 158.65 10.35 Favored Glycine 0 C--O 1.229 -0.192 0 CA-C-N 116.669 -0.241 . . . . 25.0 113.113 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -161.43 162.77 30.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.022 0.411 . . . . 25.0 111.165 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -130.61 151.77 50.71 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.33 -18.32 28.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.714 0.769 . . . . 25.0 111.017 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -112.12 163.94 13.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.679 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.8 OUTLIER -70.0 -53.67 10.98 Favored Pre-proline 0 N--CA 1.468 0.47 0 C-N-CA 119.86 -0.736 . . . . 25.0 111.871 174.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.75 137.15 37.79 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 115.992 -2.206 . . . . 25.0 110.722 170.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.36 -50.29 40.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.341 0.591 . . . . 25.0 110.405 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m 52.56 -167.03 0.06 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.785 -1.098 . . . . 25.0 113.04 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -149.31 38.51 0.79 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.803 0.811 . . . . 25.0 109.7 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.34 76.09 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 122.164 0.983 . . . . 25.0 111.899 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -80.06 64.59 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.813 0.816 . . . . 25.0 109.928 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -99.43 25.92 6.55 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.043 -0.526 . . . . 25.0 110.131 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 57.9 18.39 4.97 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.286 1.035 . . . . 25.0 113.31 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m -89.77 117.45 68.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.481 -0.562 . . . . 25.0 109.481 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.79 159.05 38.84 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 116.784 -1.677 . . . . 25.0 112.81 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -140.0 164.28 30.45 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.764 -1.569 . . . . 25.0 106.764 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.7 ptt85 -70.3 154.26 42.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.425 0.631 . . . . 25.0 109.809 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.78 -124.92 1.47 Allowed Glycine 0 N--CA 1.453 -0.228 0 N-CA-C 110.39 -1.084 . . . . 25.0 110.39 -173.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 tp -55.16 -35.44 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.644 0.609 . . . . 25.0 112.644 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.8 t -65.32 -39.45 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 O-C-N 121.482 -0.761 . . . . 25.0 111.183 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -66.94 -32.07 73.08 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.864 -0.522 . . . . 25.0 110.848 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -81.91 -40.32 22.52 Favored 'General case' 0 C--O 1.209 -1.028 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.25 -18.19 14.99 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 116.854 2.168 . . . . 25.0 116.854 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.6 t -109.64 -45.52 3.66 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.663 0.665 . . . . 25.0 111.398 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -76.09 -20.74 57.41 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.863 0.364 . . . . 25.0 110.337 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -145.21 178.41 8.09 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 106.007 -1.849 . . . . 25.0 106.007 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.5 p -88.24 152.94 21.61 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 123.483 0.49 . . . . 25.0 110.699 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.7 p -143.8 163.63 32.81 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.828 0.347 . . . . 25.0 111.595 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -109.18 157.86 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.586 -0.733 . . . . 25.0 109.296 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.52 -28.48 67.11 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.49 78.16 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.215 0.531 . . . . 25.0 110.083 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.07 -40.93 91.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.9 0.857 . . . . 25.0 109.076 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.409 HD22 HG11 ' A' ' 20' ' ' VAL . 1.4 tt -58.73 -43.37 90.17 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.961 -1.018 . . . . 25.0 110.897 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.59 -27.0 62.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.64 0.608 . . . . 25.0 112.64 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.9 p -67.77 -16.19 64.0 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.402 -0.811 . . . . 25.0 113.027 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -88.33 1.6 54.28 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.803 0.335 . . . . 25.0 111.686 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -73.38 161.79 30.05 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.3 -27.57 62.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.84 0.352 . . . . 25.0 110.958 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.5 p -83.3 153.24 65.72 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.474 -0.33 . . . . 25.0 111.589 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.14 -177.24 3.68 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 120.924 1.083 . . . . 25.0 111.261 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.94 61.46 0.57 Allowed 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.0 tttt 56.23 25.57 9.39 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.213 1.19 . . . . 25.0 114.213 178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.5 t -116.76 101.43 8.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.212 -1.032 . . . . 25.0 108.212 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--O 1.294 3.406 0 CA-C-O 113.907 -2.949 . . . . 25.0 111.789 -178.021 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 123.188 1.471 . . . . 25.0 114.264 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -79.5 143.01 35.29 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.236 -0.915 . . . . 25.0 109.5 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -71.09 142.42 87.46 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 106.95 -1.5 . . . . 25.0 106.95 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.42 -29.51 84.72 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 121.122 1.214 . . . . 25.0 115.163 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 m -154.94 117.05 4.19 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.613 -1.255 . . . . 25.0 107.613 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -105.13 -1.79 25.06 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 173.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.87 142.67 57.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.709 -1.132 . . . . 25.0 108.666 176.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.22 113.37 26.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.297 0.57 . . . . 25.0 111.827 -173.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 -56.78 1.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 -174.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.85 -137.39 8.11 Favored Glycine 0 C--O 1.221 -0.689 0 CA-C-N 116.281 -0.418 . . . . 25.0 113.837 -174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.29 -22.31 58.29 Favored Glycine 0 C--O 1.224 -0.5 0 C-N-CA 121.251 -0.5 . . . . 25.0 113.183 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -60.86 -37.67 82.91 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-O 121.015 0.436 . . . . 25.0 110.547 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.2 tp -67.54 -41.19 84.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.138 0.494 . . . . 25.0 109.974 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.0 t -62.88 -39.28 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.66 -41.7 97.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.379 -0.2 . . . . 25.0 110.742 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.5 m -66.33 -42.01 88.8 Favored 'General case' 0 C--O 1.218 -0.577 0 O-C-N 122.077 -0.39 . . . . 25.0 111.884 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' A' ' 58' ' ' LEU . 3.8 mt -60.79 -38.65 86.05 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.72 -0.612 . . . . 25.0 109.809 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.54 -32.99 73.32 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 116.331 -0.395 . . . . 25.0 111.475 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -72.19 -42.72 65.52 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.713 -0.617 . . . . 25.0 111.473 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.7 -38.48 37.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.1 m -124.75 -8.38 7.31 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 116.698 2.11 . . . . 25.0 116.698 -175.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.19 168.88 41.92 Favored Glycine 0 C--N 1.32 -0.342 0 CA-C-O 121.985 0.769 . . . . 25.0 111.448 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -79.4 15.12 1.33 Allowed 'General case' 0 N--CA 1.472 0.64 0 O-C-N 122.114 -0.639 . . . . 25.0 111.692 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -69.57 -18.65 63.66 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.059 0.762 . . . . 25.0 113.059 -174.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.14 149.28 5.48 Favored Glycine 0 CA--C 1.51 -0.256 0 C-N-CA 121.449 -0.405 . . . . 25.0 112.703 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -160.7 159.54 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.638 -1.616 . . . . 25.0 106.638 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -117.0 142.48 46.9 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -93.65 2.42 56.33 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.529 0.681 . . . . 25.0 112.01 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 p -146.97 151.73 37.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 104.149 -2.538 . . . . 25.0 104.149 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -68.27 -51.12 26.37 Favored Pre-proline 0 N--CA 1.471 0.615 0 N-CA-C 114.394 1.257 . . . . 25.0 114.394 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.39 138.06 38.05 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 116.734 -1.71 . . . . 25.0 111.807 174.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -118.51 -8.24 10.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.708 -0.678 . . . . 25.0 110.718 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.44 29.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 115.935 1.828 . . . . 25.0 115.935 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 53.08 44.27 30.59 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 m -120.33 125.6 74.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 122.023 0.916 . . . . 25.0 111.105 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.4 t -146.43 110.1 4.87 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.184 -1.413 . . . . 25.0 107.184 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -148.81 151.9 35.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 -177.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 57.87 38.48 27.13 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.277 0.985 . . . . 25.0 111.818 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 t 50.78 70.22 2.13 Favored Pre-proline 0 N--CA 1.476 0.867 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.63 164.96 33.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 117.791 -1.006 . . . . 25.0 111.98 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -109.66 172.13 7.03 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -71.12 172.42 9.21 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.431 -0.349 . . . . 25.0 110.392 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.08 -85.88 1.67 Allowed Glycine 0 C--O 1.22 -0.749 0 CA-C-N 116.296 -0.411 . . . . 25.0 113.141 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -58.07 -36.93 58.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 116.927 0.363 . . . . 25.0 110.925 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.07 -35.28 67.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 O-C-N 121.456 -0.777 . . . . 25.0 110.146 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.15 -39.72 86.57 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.462 -0.774 . . . . 25.0 110.53 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -84.65 -26.65 27.68 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.1 m -103.63 -12.48 17.02 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 116.247 1.943 . . . . 25.0 116.247 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.2 t -118.01 -46.05 2.64 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.46 0.541 . . . . 25.0 112.46 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -83.4 -11.46 57.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.82 -0.807 . . . . 25.0 108.82 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -138.69 171.16 14.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 103.733 -2.691 . . . . 25.0 103.733 171.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.5 p -93.72 149.9 20.85 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.676 -1.601 . . . . 25.0 106.676 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.6 p -137.74 166.47 23.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.054 0.454 . . . . 25.0 110.392 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -112.06 167.41 10.42 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.57 -26.56 68.03 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.42 -45.61 53.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.421 0.555 . . . . 25.0 110.14 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.37 -46.06 91.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.908 0.861 . . . . 25.0 108.991 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.431 HD21 ' HA ' ' A' ' 17' ' ' LEU . 5.2 tt -57.11 -44.25 83.07 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 114.99 -1.004 . . . . 25.0 111.807 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -55.68 -28.14 54.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.062 -0.517 . . . . 25.0 112.166 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.4 p -65.3 -16.3 63.43 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.95 -3.85 56.96 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.026 0.38 . . . . 25.0 112.026 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.3 m -73.18 146.98 45.18 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.92 -25.08 61.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 -173.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.9 p -137.12 154.65 75.99 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -81.16 175.67 9.56 Favored 'Trans proline' 0 C--O 1.235 0.345 0 CA-C-O 121.964 0.735 . . . . 25.0 113.461 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.0 150.65 37.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.776 -1.102 . . . . 25.0 108.077 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.2 65.49 1.59 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.593 0.711 . . . . 25.0 109.8 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.1 p -85.88 40.34 0.85 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.886 0.851 . . . . 25.0 111.124 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? . . . . . 0 C--O 1.297 3.594 0 CA-C-O 115.198 -2.334 . . . . 25.0 112.789 -177.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 122.393 1.092 . . . . 25.0 113.75 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -71.91 153.15 42.04 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.206 -0.906 . . . . 25.0 110.75 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.76 146.43 52.72 Favored Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 106.868 -1.531 . . . . 25.0 106.868 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -55.03 -28.14 58.45 Favored 'Trans proline' 0 C--N 1.35 0.649 0 N-CA-C 116.509 1.696 . . . . 25.0 116.509 -178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 t -139.36 81.92 1.86 Allowed 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -74.9 0.72 14.71 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.829 0.823 . . . . 25.0 112.775 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 p -79.03 132.15 36.53 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.186 -1.413 . . . . 25.0 107.186 170.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.3 mt -129.62 119.6 23.85 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.905 0.882 . . . . 25.0 108.675 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.2 m -112.98 -164.89 0.95 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.832 -0.622 . . . . 25.0 111.205 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.46 138.17 23.96 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 121.047 -0.597 . . . . 25.0 114.18 -175.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.27 -69.2 3.04 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-O 119.919 -0.379 . . . . 25.0 112.659 -178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -64.81 -33.62 76.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.687 0.743 . . . . 25.0 111.715 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.3 tp -65.86 -39.42 90.7 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.6 -41.04 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -63.91 -38.96 93.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.25 0.548 . . . . 25.0 110.052 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -64.69 -43.11 94.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.345 -0.389 . . . . 25.0 110.956 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -61.68 -37.32 83.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.898 -0.501 . . . . 25.0 110.256 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.77 -39.51 84.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 25.0 110.618 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -67.11 -44.3 80.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.236 0.458 . . . . 25.0 112.236 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -73.18 -42.78 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 122.048 -0.407 . . . . 25.0 111.839 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -150.3 29.91 0.7 Allowed 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 115.551 1.686 . . . . 25.0 115.551 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.43 -27.92 66.52 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 120.861 -0.685 . . . . 25.0 112.935 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.24 -37.91 73.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.516 0.674 . . . . 25.0 111.719 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.86 -21.63 17.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.526 -0.761 . . . . 25.0 112.81 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.77 166.0 40.63 Favored Glycine 0 N--CA 1.452 -0.237 0 N-CA-C 109.79 -1.324 . . . . 25.0 109.79 -174.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -152.74 166.19 32.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 122.284 -0.539 . . . . 25.0 111.46 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -118.94 160.84 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.685 -1.598 . . . . 25.0 106.685 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.6 5.62 51.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 25.0 110.813 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.3 m -147.13 156.74 43.24 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 104.29 -2.485 . . . . 25.0 104.29 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -60.08 -52.42 73.55 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 112.998 0.74 . . . . 25.0 112.998 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -75.29 156.06 41.68 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 117.688 -1.074 . . . . 25.0 110.878 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.97 5.53 5.06 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.104 0.478 . . . . 25.0 111.905 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.7 m -58.02 134.3 56.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.263 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -125.93 51.95 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.668 0.747 . . . . 25.0 109.583 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 m -125.43 -177.77 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.4 t -146.46 -171.79 3.81 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 102.635 -3.098 . . . . 25.0 102.635 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 52.33 -178.44 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 125.583 1.553 . . . . 25.0 114.154 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 56.48 54.65 7.28 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.604 -0.888 . . . . 25.0 108.604 -170.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.1 p 75.63 151.98 0.14 Allowed Pre-proline 0 N--CA 1.482 1.149 0 C-N-CA 126.114 1.765 . . . . 25.0 111.361 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.58 154.13 68.85 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 118.07 -0.82 . . . . 25.0 112.316 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -126.81 140.95 51.99 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.427 -1.323 . . . . 25.0 107.427 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.12 163.79 20.64 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.326 0.862 . . . . 25.0 113.326 -173.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.8 32.35 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.567 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 tp -55.38 -35.14 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.694 0.798 . . . . 25.0 110.24 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.7 p -61.44 -32.09 52.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.227 0.454 . . . . 25.0 112.227 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -72.94 -38.19 66.88 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.522 -1.271 . . . . 25.0 110.237 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -28.46 54.63 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.005 0.372 . . . . 25.0 112.005 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.4 m -102.17 -27.84 12.66 Favored 'General case' 0 C--O 1.208 -1.092 0 N-CA-C 116.262 1.949 . . . . 25.0 116.262 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.7 t -106.77 -39.03 5.92 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.512 1.051 . . . . 25.0 111.659 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -89.16 -9.07 52.3 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.873 0.844 . . . . 25.0 110.053 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -139.51 -165.32 1.84 Allowed 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 102.764 -3.051 . . . . 25.0 102.764 171.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 p -120.71 153.76 36.52 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.8 p -143.1 165.81 26.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.258 0.551 . . . . 25.0 112.332 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -117.01 162.77 17.26 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.11 -30.44 68.11 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 111.92 0.341 . . . . 25.0 111.92 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.69 93.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.4 0.619 . . . . 25.0 110.808 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.97 -42.2 70.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.434 ' C ' HD23 ' A' ' 58' ' ' LEU . 5.1 tt -58.7 -43.59 90.07 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.728 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -55.57 -26.29 42.74 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.605 0.717 . . . . 25.0 112.005 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.3 p -68.77 -16.14 63.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.88 1.067 . . . . 25.0 113.88 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -91.99 -1.04 57.46 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.99 0.516 . . . . 25.0 111.148 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 65.1 m -74.83 167.7 21.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.941 -0.475 . . . . 25.0 110.654 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -13.94 62.16 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.137 0.494 . . . . 25.0 111.03 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.0 p -124.65 161.59 47.62 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.33 -177.09 3.28 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 118.158 -0.762 . . . . 25.0 110.294 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.93 140.15 38.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.404 -0.362 . . . . 25.0 110.781 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -76.52 45.47 0.39 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.72 1.008 . . . . 25.0 113.72 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.0 t -84.46 82.39 8.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.269 0.557 . . . . 25.0 111.005 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 . . . . . 0 C--O 1.305 3.991 0 CA-C-O 115.082 -2.39 . . . . 25.0 110.334 177.018 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 123.673 1.701 . . . . 25.0 114.247 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -107.66 161.42 14.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.822 -1.081 . . . . 25.0 108.997 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -97.31 147.56 33.14 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 106.464 -1.68 . . . . 25.0 106.464 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -59.83 -29.47 89.62 Favored 'Trans proline' 0 N--CA 1.474 0.346 0 O-C-N 122.157 0.556 . . . . 25.0 113.505 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -123.16 89.69 3.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.151 0.501 . . . . 25.0 110.111 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.3 -19.11 32.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.755 -0.657 . . . . 25.0 110.107 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p -83.59 163.51 20.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.867 -0.606 . . . . 25.0 111.047 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.2 mt -109.39 119.61 39.99 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.065 -0.516 . . . . 25.0 112.045 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.35 164.22 30.83 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.63 -145.44 47.47 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.955 -0.641 . . . . 25.0 113.115 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.66 -22.05 71.41 Favored Glycine 0 C--O 1.22 -0.73 0 C-N-CA 121.162 -0.542 . . . . 25.0 113.856 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.58 -36.63 83.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.952 0.876 . . . . 25.0 109.973 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.93 -42.06 90.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.39 -44.16 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -59.18 -37.83 78.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.168 0.509 . . . . 25.0 110.781 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.5 m -68.62 -42.36 78.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.987 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' HA ' HD21 ' A' ' 58' ' ' LEU . 3.3 mt -61.7 -38.84 89.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.912 -0.492 . . . . 25.0 110.531 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -67.3 -35.1 78.76 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.796 -0.638 . . . . 25.0 110.733 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -73.97 -47.99 33.51 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.129 0.789 . . . . 25.0 113.129 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.0 -41.61 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.448 0.536 . . . . 25.0 112.448 -173.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 t -105.44 -26.62 11.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.954 1.094 . . . . 25.0 113.954 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.85 -173.6 35.11 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 109.096 -1.601 . . . . 25.0 109.096 -174.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.71 15.09 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 116.317 1.969 . . . . 25.0 116.317 -177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -13.48 62.28 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.118 -0.988 . . . . 25.0 112.388 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.69 159.67 34.57 Favored Glycine 0 C--O 1.225 -0.437 0 N-CA-C 110.247 -1.141 . . . . 25.0 110.247 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -156.98 164.15 38.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.46 147.33 49.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -82.27 -12.85 57.79 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.922 -0.487 . . . . 25.0 111.708 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -130.25 141.84 50.6 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 174.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -49.78 -48.01 78.27 Favored Pre-proline 0 N--CA 1.481 1.111 0 N-CA-C 119.761 3.245 . . . . 25.0 119.761 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -66.19 120.45 7.59 Favored 'Trans proline' 0 C--O 1.224 -0.191 0 C-N-CA 117.474 -1.217 . . . . 25.0 114.388 -175.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.66 26.84 0.77 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.769 -1.56 . . . . 25.0 112.592 -176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.2 t -61.35 141.47 57.58 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.163 -0.926 . . . . 25.0 109.258 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -79.09 52.44 1.29 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.277 0.843 . . . . 25.0 113.277 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.3 m -138.58 161.37 30.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 105.804 -1.924 . . . . 25.0 105.804 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.5 t -113.61 143.59 44.31 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.285 -1.376 . . . . 25.0 107.285 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -137.17 168.31 19.86 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.4 ptt85 -76.7 43.89 0.35 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.327 1.603 . . . . 25.0 115.327 -175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t 38.28 77.22 0.42 Allowed Pre-proline 0 N--CA 1.477 0.893 0 N-CA-C 115.913 1.819 . . . . 25.0 115.913 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -69.35 154.43 69.38 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 116.411 -1.926 . . . . 25.0 111.882 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -64.98 -26.38 68.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -72.51 141.69 48.52 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 119.928 -0.709 . . . . 25.0 110.176 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.45 -148.15 16.69 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 107.167 -2.373 . . . . 25.0 107.167 -171.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -54.84 -34.05 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -175.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -70.05 -42.29 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 O-C-N 120.987 -1.07 . . . . 25.0 110.058 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.43 -34.11 77.22 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.362 -0.836 . . . . 25.0 110.525 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.38 -37.83 51.23 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 114.1 1.148 . . . . 25.0 114.1 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.9 m -108.51 -11.36 15.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 116.585 2.068 . . . . 25.0 116.585 -174.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.1 t -113.78 -48.2 2.93 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.028 0.376 . . . . 25.0 111.268 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -77.61 -13.36 59.93 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.346 0.593 . . . . 25.0 109.871 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -144.84 173.75 11.59 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 104.851 -2.278 . . . . 25.0 104.851 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.8 t -93.05 153.41 18.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 106.946 -1.501 . . . . 25.0 106.946 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.2 p -141.68 166.65 24.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.384 -0.599 . . . . 25.0 109.384 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -111.01 162.09 15.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.31 -27.81 68.76 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 112.568 0.581 . . . . 25.0 112.568 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.94 60.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.238 0.542 . . . . 25.0 109.797 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.99 -42.16 98.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.47 0.652 . . . . 25.0 109.78 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 17' ' ' LEU . 5.7 tt -60.56 -44.45 96.13 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.461 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -58.65 -24.36 61.02 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.767 0.655 . . . . 25.0 112.767 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 p -64.0 -16.19 61.05 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -90.67 0.59 57.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.825 0.345 . . . . 25.0 110.759 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.5 t -74.68 150.78 39.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.78 69.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.511 0.56 . . . . 25.0 112.511 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 p -139.47 158.08 69.26 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -77.14 176.83 9.63 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 117.542 -1.172 . . . . 25.0 112.409 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.96 115.88 7.98 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -81.31 47.2 1.01 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.768 0.794 . . . . 25.0 111.672 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.3 t -82.36 70.24 9.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.977 0.894 . . . . 25.0 109.959 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 . . . . . 0 C--O 1.304 3.923 0 CA-C-O 113.799 -3.0 . . . . 25.0 110.426 -179.676 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 122.449 1.118 . . . . 25.0 113.855 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -86.97 155.09 20.32 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.248 -0.887 . . . . 25.0 109.902 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -73.12 155.35 90.25 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.26 -30.86 92.2 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 118.484 -0.544 . . . . 25.0 111.981 170.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 m -125.0 91.75 3.5 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.659 -0.7 . . . . 25.0 109.946 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -84.22 -31.16 25.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 p -103.46 158.31 16.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.644 -1.613 . . . . 25.0 106.644 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.1 tp -127.21 111.74 14.31 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.76 147.17 32.62 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 114.406 1.261 . . . . 25.0 114.406 -172.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 -140.86 21.31 Favored Glycine 0 C--O 1.226 -0.394 0 C-N-CA 120.258 -0.972 . . . . 25.0 112.138 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.62 -32.97 85.97 Favored Glycine 0 C--O 1.221 -0.699 0 C-N-CA 120.95 -0.643 . . . . 25.0 114.653 -175.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -66.84 -30.13 70.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.616 0.708 . . . . 25.0 110.798 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -68.28 -41.1 81.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.44 -40.61 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.98 -0.378 . . . . 25.0 109.98 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.55 -43.05 99.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 m -63.81 -39.91 95.36 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.33 -39.26 92.47 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -68.45 -38.64 81.32 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.251 176.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -68.3 -48.95 63.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.059 0.763 . . . . 25.0 113.059 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.89 -29.26 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -172.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.9 m -118.71 -14.93 9.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.454 1.65 . . . . 25.0 115.454 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' C ' ' H ' ' A' ' 24' ' ' ARG . . . 89.17 174.42 46.44 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 107.843 -2.103 . . . . 25.0 107.843 -172.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -70.69 15.22 0.1 Allowed 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 122.316 1.055 . . . . 25.0 112.61 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 22' ' ' GLY . 23.5 mmm180 -71.61 -1.99 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.157 -0.965 . . . . 25.0 112.029 -174.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.16 146.18 12.81 Favored Glycine 0 N--CA 1.453 -0.181 0 CA-C-O 121.468 0.482 . . . . 25.0 113.56 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.68 166.81 32.34 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -130.18 157.74 41.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.23 5.25 52.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.262 0.553 . . . . 25.0 110.063 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.4 m -137.3 161.78 35.32 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -52.34 -49.56 84.54 Favored Pre-proline 0 N--CA 1.477 0.899 0 N-CA-C 119.446 3.128 . . . . 25.0 119.446 -174.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.33 126.54 15.13 Favored 'Trans proline' 0 CA--C 1.515 -0.451 0 C-N-CA 117.89 -0.94 . . . . 25.0 113.564 -176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -126.59 4.63 6.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.558 -1.201 . . . . 25.0 112.616 -175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 t -77.12 49.28 0.66 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.441 0.904 . . . . 25.0 113.441 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 53.87 34.12 18.68 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.935 0.894 . . . . 25.0 112.895 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 m -135.83 146.76 29.02 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -152.84 133.16 13.6 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 106.088 -1.819 . . . . 25.0 106.088 173.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -93.14 -3.35 54.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 58.52 17.84 5.25 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.674 1.19 . . . . 25.0 113.752 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.06 144.53 67.73 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 108.533 -0.914 . . . . 25.0 108.533 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -68.6 123.31 10.34 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 116.956 -1.563 . . . . 25.0 110.458 175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -144.25 164.64 30.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -84.29 -164.32 0.93 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.463 -1.31 . . . . 25.0 107.463 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.14 -116.49 0.76 Allowed Glycine 0 C--O 1.216 -0.988 0 C-N-CA 120.868 -0.682 . . . . 25.0 113.088 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.1 tp -49.89 -36.07 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.881 0.848 . . . . 25.0 112.935 -175.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.1 m -67.92 -26.29 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.883 -0.599 . . . . 25.0 111.799 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.04 -34.82 78.53 Favored 'General case' 0 CA--C 1.508 -0.658 0 O-C-N 121.467 -0.771 . . . . 25.0 110.388 -174.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -91.66 -38.59 12.34 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.9 m -98.34 -14.75 20.03 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 117.038 2.236 . . . . 25.0 117.038 -172.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.6 t -119.12 -45.51 2.55 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.295 0.498 . . . . 25.0 112.191 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -77.55 -17.69 57.65 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -140.04 -174.77 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 104.228 -2.508 . . . . 25.0 104.228 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.4 p -108.6 153.47 23.35 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 171.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p -138.19 164.09 30.07 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 -174.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.72 152.65 21.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -64.04 -27.49 69.15 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.436 0.636 . . . . 25.0 109.68 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.28 82.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.413 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.89 -44.64 80.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.43 -43.15 79.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.906 -1.043 . . . . 25.0 110.977 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.67 -26.37 44.34 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -65.52 -16.38 63.62 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.87 1.063 . . . . 25.0 113.87 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -85.42 -2.11 57.76 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 72.0 m -75.83 161.37 29.06 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.966 -0.459 . . . . 25.0 112.108 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.28 -26.4 58.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.187 -0.672 . . . . 25.0 109.187 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.8 p -86.77 154.79 56.0 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.722 -0.672 . . . . 25.0 110.294 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -77.8 179.84 6.12 Favored 'Trans proline' 0 C--O 1.236 0.378 0 O-C-N 122.131 0.542 . . . . 25.0 112.062 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.76 135.64 57.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.119 -1.067 . . . . 25.0 108.119 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -92.01 30.78 1.35 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.258 0.551 . . . . 25.0 111.385 -176.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 m -83.09 71.0 10.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.698 0.761 . . . . 25.0 112.804 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 . . . . . 0 C--O 1.295 3.497 0 CA-C-O 115.082 -2.39 . . . . 25.0 112.886 177.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.956 0 CA-C-O 122.471 1.129 . . . . 25.0 113.686 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -91.32 160.83 15.3 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.111 -0.949 . . . . 25.0 109.584 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -70.75 147.72 94.51 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 108.118 -1.068 . . . . 25.0 108.118 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.71 -31.17 91.69 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 O-C-N 121.765 0.35 . . . . 25.0 112.775 172.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -128.56 81.84 2.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.915 -0.584 . . . . 25.0 111.477 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -78.26 -8.4 58.33 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 122.018 0.913 . . . . 25.0 109.247 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.6 p -113.42 165.42 12.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.55 -1.205 . . . . 25.0 109.665 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -124.96 121.55 34.76 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -133.87 -34.33 1.01 Allowed 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.401 1.63 . . . . 25.0 115.401 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.22 -146.73 12.41 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 121.234 -0.507 . . . . 25.0 112.849 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.77 -18.36 63.97 Favored Glycine 0 C--O 1.218 -0.892 0 CA-C-O 122.068 0.816 . . . . 25.0 111.245 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -58.53 -29.92 66.68 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.098 0.959 . . . . 25.0 112.03 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -73.22 -41.08 64.17 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.29 -39.59 85.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.521 -0.918 . . . . 25.0 108.521 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -62.13 -45.0 95.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 25.0 110.32 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -61.75 -41.4 97.63 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.104 -0.373 . . . . 25.0 111.949 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.75 -37.86 88.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.123 -0.361 . . . . 25.0 110.899 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -67.96 -41.35 82.55 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -65.77 -47.32 75.58 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 58' ' ' LEU . 7.5 p -69.98 -28.88 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -174.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.1 m -120.78 -18.93 7.52 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 117.411 2.374 . . . . 25.0 117.411 -175.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.01 -134.1 52.49 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-O 123.487 1.604 . . . . 25.0 112.826 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -59.99 -16.37 29.94 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 111.925 -2.137 . . . . 25.0 114.257 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -63.86 -23.85 67.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.486 0.55 . . . . 25.0 112.486 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.34 169.29 31.95 Favored Glycine 0 C--O 1.229 -0.183 0 N-CA-C 111.823 -0.511 . . . . 25.0 111.823 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 44.0 p90 -157.21 167.88 29.05 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.175 -0.603 . . . . 25.0 112.45 -177.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -129.64 158.18 40.04 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -88.86 -15.61 34.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 p -88.59 148.76 23.92 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -56.69 -53.43 64.68 Favored Pre-proline 0 N--CA 1.474 0.765 0 N-CA-C 115.126 1.528 . . . . 25.0 115.126 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.57 144.28 28.27 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 117.982 -0.879 . . . . 25.0 112.204 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.23 -10.62 59.55 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.921 0.867 . . . . 25.0 109.522 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.3 m -66.13 101.6 0.72 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.415 -0.811 . . . . 25.0 111.075 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -74.67 48.45 0.36 Allowed 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.689 0.996 . . . . 25.0 113.689 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -123.17 24.35 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 122.669 1.223 . . . . 25.0 108.91 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 m -70.69 47.42 0.1 Allowed 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 115.636 1.717 . . . . 25.0 115.636 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -78.63 34.94 0.23 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.283 0.563 . . . . 25.0 112.151 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -111.88 24.68 12.4 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 123.169 0.588 . . . . 25.0 110.101 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 p 71.7 155.06 0.15 Allowed Pre-proline 0 N--CA 1.478 0.971 0 C-N-CA 125.09 1.356 . . . . 25.0 110.161 -172.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.34 150.88 87.46 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 118.336 -0.643 . . . . 25.0 111.544 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -149.55 172.67 14.63 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.646 -0.502 . . . . 25.0 109.646 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -65.17 167.05 8.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.826 0.676 . . . . 25.0 112.826 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.0 -114.52 0.42 Allowed Glycine 0 C--O 1.219 -0.815 0 N-CA-C 110.882 -0.887 . . . . 25.0 110.882 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.3 tp -46.45 -37.87 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 114.572 1.323 . . . . 25.0 114.572 -176.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 m -65.81 -26.26 38.29 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 CA-C-N 116.256 -0.429 . . . . 25.0 112.04 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -67.78 -35.63 79.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.166 -0.959 . . . . 25.0 110.899 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -92.53 -29.57 16.13 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 120.222 -0.591 . . . . 25.0 112.188 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 75.2 m -101.6 -14.13 17.56 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 116.42 2.008 . . . . 25.0 116.42 -174.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.4 t -117.66 -52.72 2.44 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.584 0.629 . . . . 25.0 111.693 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -72.71 -23.07 60.81 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -130.86 -175.77 3.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 105.274 -2.121 . . . . 25.0 105.274 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.9 p -107.9 153.13 23.48 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 105.373 -2.084 . . . . 25.0 105.373 170.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -134.82 159.33 41.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.213 0.53 . . . . 25.0 112.073 -175.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.75 152.56 21.25 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.86 -27.66 68.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.991 0.424 . . . . 25.0 110.81 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.09 90.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.337 0.589 . . . . 25.0 111.001 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.31 -43.73 73.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.346 -0.983 . . . . 25.0 108.346 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 20' ' ' VAL . 1.5 tt -57.31 -42.52 81.97 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.667 -1.151 . . . . 25.0 111.024 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -55.3 -25.64 35.47 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.7 p -67.14 -21.05 65.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.342 -0.849 . . . . 25.0 112.943 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -81.06 -7.51 59.57 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.191 0.52 . . . . 25.0 111.849 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 72.9 m -70.2 153.11 43.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.477 0.656 . . . . 25.0 111.279 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.32 -29.47 69.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.415 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.8 p -130.48 149.12 72.56 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -84.04 178.81 5.07 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 121.923 1.748 . . . . 25.0 114.188 -174.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.92 142.05 58.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 9.4 6.32 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.919 0.866 . . . . 25.0 110.603 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 m -97.49 82.95 3.17 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.476 -1.238 . . . . 25.0 108.281 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 C--O 1.303 3.901 0 CA-C-O 115.733 -2.08 . . . . 25.0 112.733 -175.139 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 122.773 1.273 . . . . 25.0 114.189 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -102.08 165.34 11.21 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -71.15 140.21 85.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 107.977 -1.12 . . . . 25.0 107.977 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.34 -27.07 84.03 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 120.558 0.839 . . . . 25.0 112.722 174.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -145.45 106.38 4.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 105.656 -1.979 . . . . 25.0 105.656 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.88 -15.62 55.82 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.603 0.716 . . . . 25.0 109.758 -176.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.3 p -130.25 158.38 39.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 171.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -135.54 130.93 35.35 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 -178.02 3.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.831 0.348 . . . . 25.0 111.271 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.85 92.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 118.66 2.224 . . . . 25.0 118.66 -171.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.26 -64.34 0.5 Allowed Glycine 0 C--O 1.222 -0.613 0 N-CA-C 109.14 -1.584 . . . . 25.0 109.14 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -67.18 -30.3 70.22 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 122.044 -0.68 . . . . 25.0 109.782 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.06 -35.33 80.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.104 -0.498 . . . . 25.0 111.372 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.97 -40.91 87.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.21 -43.49 98.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -63.22 -40.6 97.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.93 -39.97 95.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.356 . . . . 25.0 111.285 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -66.14 -41.91 89.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -68.41 -45.33 72.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.59 -23.96 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 -172.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.9 t -119.94 -43.78 2.54 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 115.581 1.697 . . . . 25.0 115.581 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.79 -156.9 15.72 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-O 122.962 1.312 . . . . 25.0 112.675 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -79.26 -2.59 41.95 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.544 -1.328 . . . . 25.0 113.704 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -70.12 -4.61 22.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 114.835 1.42 . . . . 25.0 114.835 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.93 157.8 28.18 Favored Glycine 0 C--O 1.22 -0.744 0 N-CA-C 111.739 -0.544 . . . . 25.0 111.739 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -154.27 168.07 27.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 -176.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -119.76 155.9 31.61 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.033 -0.728 . . . . 25.0 109.033 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.1 7.08 47.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.934 0.873 . . . . 25.0 109.534 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' HA3' ' A' ' 43' ' ' GLY . 31.3 p -146.1 157.38 43.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.97 -1.493 . . . . 25.0 106.97 -177.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -59.86 -51.11 83.1 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.41 147.4 82.65 Favored 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 117.923 -0.918 . . . . 25.0 111.149 171.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.96 -23.44 67.41 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t 47.47 62.91 2.2 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.324 0.861 . . . . 25.0 113.324 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -73.38 53.75 0.41 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.945 0.898 . . . . 25.0 113.366 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.9 m -139.79 159.22 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 106.432 -1.692 . . . . 25.0 106.432 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.6 p -110.6 29.64 7.54 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.531 0.681 . . . . 25.0 111.352 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 -69.9 142.05 53.05 Favored 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -69.8 -19.1 63.5 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -82.46 113.91 47.8 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 110.561 -0.163 . . . . 25.0 110.561 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -77.82 171.8 16.74 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 117.785 -1.01 . . . . 25.0 112.14 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -126.08 169.76 12.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -82.58 179.09 7.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.609 -0.268 . . . . 25.0 110.367 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 29' ' ' SER . . . 149.48 -101.33 0.22 Allowed Glycine 0 C--O 1.224 -0.471 0 CA-C-O 119.907 -0.385 . . . . 25.0 112.4 -178.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 tp -55.11 -36.29 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 121.118 0.485 . . . . 25.0 111.399 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -70.39 -26.1 28.36 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 O-C-N 121.635 -0.666 . . . . 25.0 112.081 -176.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -72.16 -34.02 68.17 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.156 -0.965 . . . . 25.0 109.164 -176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -89.23 -32.09 17.58 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.859 -0.609 . . . . 25.0 112.267 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.6 m -108.78 -11.69 15.01 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 117.56 2.43 . . . . 25.0 117.56 -175.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -114.35 -52.78 2.7 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.174 0.897 . . . . 25.0 110.674 176.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -72.76 -27.01 61.76 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -123.1 172.07 8.83 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 105.296 -2.112 . . . . 25.0 105.296 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 p -96.55 146.43 24.82 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 105.508 -2.034 . . . . 25.0 105.508 168.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -128.91 162.69 26.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 118.062 0.392 . . . . 25.0 110.776 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -89.88 152.0 21.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.371 -1.714 . . . . 25.0 106.371 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.53 -28.39 69.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.072 0.463 . . . . 25.0 109.948 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.78 -46.08 86.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.986 -0.552 . . . . 25.0 109.989 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.87 -43.23 84.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.66 0.743 . . . . 25.0 109.828 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.48 -44.15 84.69 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.33 -0.85 . . . . 25.0 111.607 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -54.97 -30.56 59.33 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 112.894 0.702 . . . . 25.0 112.894 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.4 p -63.67 -19.1 64.63 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.958 1.096 . . . . 25.0 113.958 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -76.07 -5.98 48.99 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 t -67.88 147.94 51.83 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.28 77.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.225 0.536 . . . . 25.0 111.623 -175.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p -142.62 157.08 62.81 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 104.785 -2.302 . . . . 25.0 104.785 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.39 178.8 6.86 Favored 'Trans proline' 0 C--O 1.241 0.629 0 C-N-CA 117.346 -1.303 . . . . 25.0 112.577 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.23 142.49 51.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.809 -0.632 . . . . 25.0 109.668 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -82.95 27.13 0.56 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.389 0.514 . . . . 25.0 112.389 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.3 t -88.37 77.68 8.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.963 0.887 . . . . 25.0 110.946 -177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--O 1.301 3.8 0 CA-C-O 113.041 -3.361 . . . . 25.0 110.998 178.583 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 123.016 1.389 . . . . 25.0 113.958 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -104.1 153.9 20.35 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.419 -0.81 . . . . 25.0 109.26 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.69 119.33 75.15 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 106.475 -1.676 . . . . 25.0 106.475 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.48 -34.93 99.16 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 N-CA-C 115.913 1.466 . . . . 25.0 115.913 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -135.23 52.46 2.03 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.677 0.751 . . . . 25.0 111.807 -175.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' HG2' ' H ' ' A' ' 6' ' ' GLU . 13.2 pt-20 -72.81 -17.17 61.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.46 134.52 33.68 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 177.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.5 mt -122.36 125.96 47.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.112 -0.494 . . . . 25.0 110.006 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.64 165.9 26.13 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.669 -0.493 . . . . 25.0 109.669 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.16 -144.78 44.86 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.063 -0.589 . . . . 25.0 113.198 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.88 71.75 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 121.097 -0.573 . . . . 25.0 113.354 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -64.55 -38.35 90.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.705 0.753 . . . . 25.0 109.905 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 tp -66.2 -43.18 87.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.821 -0.627 . . . . 25.0 109.428 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.02 -42.92 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 110.249 -0.278 . . . . 25.0 110.249 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -60.56 -35.68 76.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.765 0.317 . . . . 25.0 110.235 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.2 m -72.98 -39.6 65.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.599 -0.44 . . . . 25.0 111.118 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.71 -38.17 89.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.041 0.448 . . . . 25.0 109.968 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -67.77 -39.1 84.15 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.246 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -65.49 -47.33 76.41 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.02 -25.98 26.69 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 88.3 m -103.8 -22.91 13.46 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 116.529 2.048 . . . . 25.0 116.529 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.46 -139.3 47.17 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-O 123.711 1.728 . . . . 25.0 111.341 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.89 -7.95 25.61 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 112.193 -2.004 . . . . 25.0 115.436 -175.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -94.05 -9.55 36.38 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.186 1.55 . . . . 25.0 115.186 -174.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.51 178.24 51.88 Favored Glycine 0 C--N 1.322 -0.246 0 CA-C-O 122.305 0.947 . . . . 25.0 114.883 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -152.63 168.89 24.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.915 -0.643 . . . . 25.0 110.038 -174.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -127.12 133.6 50.36 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.979 -0.749 . . . . 25.0 108.979 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.95 -15.12 63.47 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.803 -0.561 . . . . 25.0 111.926 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.1 m -126.1 22.99 7.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 67.65 156.25 0.14 Allowed Pre-proline 0 N--CA 1.489 1.502 0 C-N-CA 125.328 1.451 . . . . 25.0 110.755 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -63.48 139.44 70.62 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 117.216 -1.389 . . . . 25.0 113.455 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.53 73.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.075 0.464 . . . . 25.0 109.998 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t 53.27 -149.03 0.42 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.318 -0.856 . . . . 25.0 110.182 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -135.95 42.55 2.61 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.48 167.7 24.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 105.611 -1.996 . . . . 25.0 105.611 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.8 t -144.04 148.43 35.2 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.233 -1.025 . . . . 25.0 108.233 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -137.6 166.48 23.81 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 105.436 -2.061 . . . . 25.0 105.436 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -109.44 27.54 9.44 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.267 0.556 . . . . 25.0 110.678 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -88.89 139.46 29.17 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.711 -0.677 . . . . 25.0 109.449 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -69.78 151.38 68.94 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 116.048 -2.168 . . . . 25.0 110.356 172.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -152.83 166.92 30.76 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.759 0.314 . . . . 25.0 110.831 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -138.17 -179.07 5.56 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 106.487 -1.671 . . . . 25.0 106.487 177.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.55 167.87 30.22 Favored Glycine 0 C--O 1.238 0.349 0 N-CA-C 109.91 -1.276 . . . . 25.0 109.91 175.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 tp -58.11 -37.39 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.387 0.514 . . . . 25.0 112.387 -174.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.5 -35.29 74.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.747 -0.596 . . . . 25.0 111.02 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -73.04 -33.89 65.98 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 118.754 -1.179 . . . . 25.0 110.974 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.95 -28.46 22.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 87.7 m -107.15 -14.7 14.85 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 116.504 2.039 . . . . 25.0 116.504 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.4 t -112.57 -50.69 2.88 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.05 0.841 . . . . 25.0 111.402 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -74.08 -15.46 61.06 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.081 0.467 . . . . 25.0 110.51 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -142.44 166.09 25.61 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 104.111 -2.552 . . . . 25.0 104.111 170.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 p -84.33 152.93 23.8 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.4 p -137.67 -178.81 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -128.75 160.33 32.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.17 -30.9 62.87 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.58 91.34 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.248 0.547 . . . . 25.0 111.253 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.36 -40.82 77.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 25.0 109.208 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.58 -42.3 96.39 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.297 -0.865 . . . . 25.0 110.858 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -58.13 -22.14 49.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.145 0.795 . . . . 25.0 113.145 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.3 p -68.21 -16.38 63.95 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.239 -0.913 . . . . 25.0 112.512 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -87.54 -6.39 58.36 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.696 0.398 . . . . 25.0 111.748 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.1 154.14 38.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.402 -0.363 . . . . 25.0 111.201 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.99 -36.62 78.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.985 0.365 . . . . 25.0 111.985 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 p -134.96 157.21 77.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.37 . . . . 25.0 111.031 -177.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -81.65 176.5 8.43 Favored 'Trans proline' 0 C--N 1.346 0.413 0 O-C-N 122.229 0.594 . . . . 25.0 112.3 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.76 148.77 32.86 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.206 -0.907 . . . . 25.0 110.086 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -142.17 116.73 9.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.158 -1.052 . . . . 25.0 108.158 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.5 t -141.04 116.67 10.25 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 . . . . . 0 C--O 1.291 3.281 0 CA-C-O 114.097 -2.859 . . . . 25.0 110.437 -179.521 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 123.573 1.654 . . . . 25.0 114.695 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -77.25 152.71 34.54 Favored 'General case' 0 C--O 1.225 -0.206 0 O-C-N 121.104 -0.997 . . . . 25.0 109.375 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.91 148.68 79.28 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 105.106 -2.183 . . . . 25.0 105.106 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -53.04 -53.46 6.73 Favored 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 116.467 1.68 . . . . 25.0 116.467 -173.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -156.3 36.9 0.33 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.825 0.822 . . . . 25.0 111.596 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -77.87 -34.08 51.84 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.397 -0.819 . . . . 25.0 109.095 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.6 p -122.81 140.32 53.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.946 -1.024 . . . . 25.0 109.089 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -129.32 125.03 35.82 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -127.31 -168.98 1.96 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.634 -0.506 . . . . 25.0 109.634 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.81 134.52 1.98 Allowed Glycine 0 CA--C 1.521 0.427 0 N-CA-C 115.747 1.059 . . . . 25.0 115.747 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.48 -69.09 3.43 Favored Glycine 0 C--O 1.226 -0.39 0 O-C-N 122.645 -0.327 . . . . 25.0 112.451 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -62.73 -39.56 94.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.365 0.603 . . . . 25.0 111.863 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.4 tp -63.73 -41.6 98.02 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.034 -0.53 . . . . 25.0 109.809 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.0 -42.82 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.36 -34.57 75.53 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 120.963 0.411 . . . . 25.0 110.449 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 m -73.75 -40.16 63.69 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.034 -0.416 . . . . 25.0 111.506 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -62.65 -39.43 93.85 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -66.89 -36.48 82.37 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.593 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -67.94 -50.23 57.13 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.9 -27.87 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 122.114 -0.366 . . . . 25.0 111.952 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.7 m -97.48 -22.43 16.57 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.908 1.077 . . . . 25.0 113.908 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.77 -136.15 41.27 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 108.68 -1.768 . . . . 25.0 108.68 -172.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.79 7.66 4.49 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 112.66 -1.77 . . . . 25.0 113.784 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -93.89 -13.59 27.0 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 116.34 1.978 . . . . 25.0 116.34 -174.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.67 173.46 45.09 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.449 -0.881 . . . . 25.0 113.832 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -160.34 171.89 18.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -125.64 152.27 45.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.925 -0.768 . . . . 25.0 108.925 177.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.38 -12.1 41.34 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.117 0.484 . . . . 25.0 110.783 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 p -129.41 162.08 28.88 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -60.11 -53.3 66.4 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 114.108 1.151 . . . . 25.0 114.108 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.42 128.68 18.7 Favored 'Trans proline' 0 CA--C 1.516 -0.419 0 C-N-CA 116.415 -1.923 . . . . 25.0 111.368 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.41 -41.12 41.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.513 -1.222 . . . . 25.0 110.265 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.9 t 57.83 -164.74 0.17 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.738 -1.119 . . . . 25.0 109.991 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -145.82 23.03 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.566 0.698 . . . . 25.0 110.937 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.77 162.41 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 105.148 -2.167 . . . . 25.0 105.148 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.9 t -123.79 155.47 37.89 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.249 -1.76 . . . . 25.0 106.249 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -135.25 155.22 51.02 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.617 -1.253 . . . . 25.0 107.617 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -77.99 -16.07 58.42 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 121.206 0.527 . . . . 25.0 109.847 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 m -76.06 144.31 75.33 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -71.66 169.5 20.9 Favored 'Trans proline' 0 C--N 1.345 0.382 0 O-C-N 122.074 0.512 . . . . 25.0 113.006 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -121.24 165.73 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -117.71 159.74 22.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.5 -90.61 0.18 Allowed Glycine 0 C--O 1.228 -0.281 0 C-N-CA 121.56 -0.352 . . . . 25.0 112.772 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.7 tp -59.75 -37.7 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 O-C-N 122.343 -0.504 . . . . 25.0 111.032 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.98 -33.61 64.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 121.842 -0.536 . . . . 25.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -73.04 -33.89 65.97 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.633 0.73 . . . . 25.0 109.463 -177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HG2' HD21 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -78.63 -38.64 39.23 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.949 179.02 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.7 m -104.88 -19.72 13.79 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 117.313 2.338 . . . . 25.0 117.313 -172.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.3 t -104.89 -50.03 3.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.642 1.11 . . . . 25.0 110.991 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -73.94 -21.91 59.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.088 0.47 . . . . 25.0 110.434 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -138.7 171.8 13.81 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 105.865 -1.902 . . . . 25.0 105.865 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -88.52 155.07 19.86 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.396 -0.594 . . . . 25.0 109.396 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.2 p -143.92 161.82 37.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -101.59 156.7 17.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.63 -30.41 68.69 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.638 0.256 . . . . 25.0 111.355 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -46.65 76.49 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.298 0.571 . . . . 25.0 110.133 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.525 HD21 ' HG2' ' A' ' 47' ' ' GLU . 6.9 tt -66.35 -40.18 89.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.14 -43.74 95.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.291 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.06 -21.17 58.73 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 113.027 0.751 . . . . 25.0 113.027 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 p -67.56 -16.22 64.07 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 121.251 -0.906 . . . . 25.0 112.621 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -92.13 1.82 56.97 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.864 0.364 . . . . 25.0 111.414 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 t -74.37 157.11 36.27 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.89 73.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.716 0.293 . . . . 25.0 111.709 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -144.13 158.04 55.95 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -77.09 178.74 7.27 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 118.535 -0.51 . . . . 25.0 112.751 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.62 137.18 58.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 177.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -83.45 45.52 1.06 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.5 t -147.9 117.99 7.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 . . . . . 0 C--O 1.292 3.34 0 CA-C-O 112.992 -3.385 . . . . 25.0 114.65 -178.549 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 123.316 1.532 . . . . 25.0 113.992 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -81.09 154.96 26.52 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.298 -0.864 . . . . 25.0 108.822 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -94.59 147.59 33.47 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 108.848 -0.797 . . . . 25.0 108.848 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -59.74 -25.81 80.29 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 121.655 1.57 . . . . 25.0 115.232 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -150.28 120.76 7.41 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 104.726 -2.324 . . . . 25.0 104.726 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -112.33 12.42 20.21 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.344 -1.298 . . . . 25.0 109.893 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.9 p -128.76 163.98 23.98 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.26 -1.791 . . . . 25.0 107.793 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -128.76 128.2 43.52 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.98 164.85 31.63 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.35 -144.78 48.78 Favored Glycine 0 CA--C 1.516 0.117 0 C-N-CA 120.621 -0.799 . . . . 25.0 112.319 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.12 -23.58 73.06 Favored Glycine 0 C--O 1.217 -0.91 0 C-N-CA 121.112 -0.566 . . . . 25.0 113.739 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -65.77 -33.94 77.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.968 0.884 . . . . 25.0 110.422 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.1 tp -67.73 -41.42 83.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.01 -42.08 94.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -58.57 -43.23 89.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.291 0.567 . . . . 25.0 110.278 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -65.92 -40.34 91.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.978 -0.451 . . . . 25.0 111.878 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.12 -38.81 92.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.128 0.49 . . . . 25.0 109.745 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -68.82 -37.53 79.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.669 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -66.55 -49.12 67.5 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.56 -34.46 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 112.424 0.527 . . . . 25.0 112.424 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -158.9 29.95 0.22 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 115.555 1.687 . . . . 25.0 115.555 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.59 -33.49 77.3 Favored Glycine 0 C--O 1.224 -0.483 0 C-N-CA 120.732 -0.747 . . . . 25.0 113.805 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.18 -35.67 73.99 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.439 0.638 . . . . 25.0 111.593 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -93.99 -9.6 36.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.894 -0.594 . . . . 25.0 111.744 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.42 160.35 27.49 Favored Glycine 0 C--N 1.321 -0.264 0 N-CA-C 111.705 -0.558 . . . . 25.0 111.705 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -152.24 163.25 39.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.203 -0.587 . . . . 25.0 110.046 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -131.5 132.22 44.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.238 0.542 . . . . 25.0 109.694 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -15.36 62.93 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.3 m -115.5 24.85 11.26 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.411 0.523 . . . . 25.0 112.411 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 68.75 165.37 0.13 Allowed Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 124.99 1.316 . . . . 25.0 109.137 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -83.92 176.62 6.69 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 118.464 -0.557 . . . . 25.0 113.416 -167.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.05 -12.74 40.46 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.397 0.617 . . . . 25.0 110.449 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m -55.57 94.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 116.756 2.132 . . . . 25.0 116.756 -172.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 60.74 16.41 6.69 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.567 1.147 . . . . 25.0 112.861 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.69 74.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 122.517 1.151 . . . . 25.0 111.326 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 88.42 0.83 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.716 -1.129 . . . . 25.0 111.13 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.5 mmt-85 -84.43 141.04 31.1 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -69.28 -38.28 78.26 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.372 -1.344 . . . . 25.0 107.372 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.9 p -154.49 148.0 18.54 Favored Pre-proline 0 C--O 1.243 0.746 0 N-CA-C 105.118 -2.179 . . . . 25.0 105.118 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.45 139.07 33.85 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 116.469 -1.887 . . . . 25.0 110.133 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -74.02 -36.99 64.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.516 0.674 . . . . 25.0 109.422 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.93 170.15 21.74 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.199 -0.909 . . . . 25.0 109.38 -174.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.16 178.64 16.5 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 109.431 -1.468 . . . . 25.0 109.431 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.13 -32.33 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.501 0.72 . . . . 25.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.0 t -62.88 -33.48 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.273 -0.421 . . . . 25.0 111.54 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -36.74 83.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.66 -0.65 . . . . 25.0 111.72 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.52 -26.92 16.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.01 0.745 . . . . 25.0 113.01 -175.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.0 m -103.13 -16.5 15.73 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 115.645 1.72 . . . . 25.0 115.645 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.3 t -116.36 -49.19 2.68 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.957 0.799 . . . . 25.0 111.799 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -77.76 -12.72 60.0 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.508 0.671 . . . . 25.0 110.021 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -140.12 -175.3 4.19 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.3 p -109.05 147.01 33.04 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.51 165.1 26.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 25.0 110.444 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -111.8 162.88 14.79 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.5 -27.33 67.52 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.84 61.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.306 0.574 . . . . 25.0 110.289 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.98 -38.69 91.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.708 0.765 . . . . 25.0 109.127 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.14 -43.67 98.33 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.299 -0.864 . . . . 25.0 110.471 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -57.69 -23.82 53.57 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.366 0.603 . . . . 25.0 112.43 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.1 p -67.91 -16.43 64.07 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.052 -1.03 . . . . 25.0 113.148 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -85.73 -5.96 59.19 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.692 0.282 . . . . 25.0 111.513 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.3 m -70.87 161.72 30.51 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.679 -0.489 . . . . 25.0 109.679 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.57 75.88 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.477 0.656 . . . . 25.0 110.52 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 p -112.14 156.46 41.9 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -79.06 176.92 9.27 Favored 'Trans proline' 0 C--O 1.237 0.461 0 O-C-N 122.328 0.646 . . . . 25.0 112.061 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.87 137.1 58.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.971 -1.013 . . . . 25.0 111.524 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.66 13.58 34.5 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.579 0.704 . . . . 25.0 110.815 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 t -80.55 77.97 7.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.421 1.105 . . . . 25.0 110.145 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 C--O 1.294 3.423 0 CA-C-O 113.935 -2.936 . . . . 25.0 110.583 -179.195 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 122.405 1.098 . . . . 25.0 113.824 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -89.68 162.66 15.48 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.144 -0.934 . . . . 25.0 109.403 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -73.61 153.0 89.62 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -60.1 -27.68 85.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 O-C-N 121.929 0.436 . . . . 25.0 112.046 170.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -135.76 98.63 3.96 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -86.13 -16.08 39.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.807 0.813 . . . . 25.0 108.936 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.8 p -105.68 153.77 21.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.52 -1.289 . . . . 25.0 107.52 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -137.99 123.52 19.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.36 113.39 8.31 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.871 0.693 . . . . 25.0 112.871 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.37 -142.66 16.32 Favored Glycine 0 C--O 1.227 -0.32 0 C-N-CA 121.136 -0.554 . . . . 25.0 112.611 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.78 -27.48 72.75 Favored Glycine 0 C--O 1.219 -0.819 0 C-N-CA 120.963 -0.637 . . . . 25.0 112.498 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.33 -29.49 70.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.22 0.533 . . . . 25.0 111.156 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 tp -70.29 -40.43 74.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.644 -0.873 . . . . 25.0 108.644 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.99 -41.34 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.561 -0.533 . . . . 25.0 109.561 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.79 -48.66 80.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.183 0.516 . . . . 25.0 109.836 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.5 m -59.62 -41.69 90.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.262 -0.427 . . . . 25.0 111.665 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.77 -40.62 97.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.396 0.141 . . . . 25.0 111.06 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -66.54 -40.89 89.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.81 -52.69 48.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.262 0.838 . . . . 25.0 113.262 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG11 HD22 ' A' ' 58' ' ' LEU . 9.2 p -69.95 -30.11 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -174.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.0 t -97.6 -47.41 5.65 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.577 0.954 . . . . 25.0 113.577 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.32 174.97 37.44 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.743 -1.343 . . . . 25.0 109.743 -173.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.35 8.89 0.13 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 117.608 2.447 . . . . 25.0 117.608 -173.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -8.47 57.46 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.281 -0.887 . . . . 25.0 110.633 177.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.73 168.55 44.62 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-O 121.566 0.536 . . . . 25.0 113.028 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -154.42 164.76 38.14 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -114.18 140.21 48.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.1 -5.53 59.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.054 0.454 . . . . 25.0 111.217 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.407 ' HA ' ' HA3' ' A' ' 43' ' ' GLY . 57.1 m -138.53 150.78 46.72 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -62.22 -54.25 51.27 Favored Pre-proline 0 N--CA 1.473 0.699 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.84 128.58 10.94 Favored 'Trans proline' 0 CA--C 1.515 -0.466 0 C-N-CA 116.458 -1.895 . . . . 25.0 112.845 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.36 -24.93 34.25 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.576 -1.193 . . . . 25.0 109.37 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t 57.2 -155.2 0.33 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.996 -1.002 . . . . 25.0 108.677 -175.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -127.0 18.72 7.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.213 0.53 . . . . 25.0 109.674 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 m -133.64 128.71 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 107.826 -1.176 . . . . 25.0 107.826 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.4 t -81.68 89.69 6.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.49 0.662 . . . . 25.0 111.226 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.435 ' C ' ' H ' ' A' ' 39' ' ' SER . 27.6 mtp180 -83.08 110.17 17.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.753 -0.462 . . . . 25.0 109.753 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -77.53 22.62 0.24 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.62 0.724 . . . . 25.0 111.037 172.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 37' ' ' ARG . 33.7 t -147.14 88.65 5.78 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 107.044 -1.465 . . . . 25.0 107.044 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -77.26 174.07 13.34 Favored 'Trans proline' 0 C--N 1.345 0.376 0 O-C-N 121.936 0.44 . . . . 25.0 111.349 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -121.67 -45.85 2.27 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 120.983 0.42 . . . . 25.0 110.539 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -148.51 166.35 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 25.0 110.079 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 29' ' ' SER . . . 139.5 -119.28 1.65 Allowed Glycine 0 C--O 1.218 -0.859 0 N-CA-C 110.104 -1.199 . . . . 25.0 110.104 -176.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 tp -56.28 -33.47 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.199 0.523 . . . . 25.0 111.01 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.8 -32.87 59.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 122.135 -0.353 . . . . 25.0 111.636 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.99 -34.07 66.2 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 118.884 -1.126 . . . . 25.0 108.805 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -75.14 -40.15 59.91 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.599 -0.728 . . . . 25.0 112.919 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.7 m -106.34 -9.5 16.75 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 -172.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.0 t -119.95 -44.98 2.49 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.463 0.574 . . . . 25.0 111.566 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -80.42 -13.26 59.28 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -144.43 178.23 8.09 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 p -99.07 153.44 18.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.533 -1.284 . . . . 25.0 107.533 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.0 p -139.62 165.06 28.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.872 0.368 . . . . 25.0 110.34 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.58 159.81 18.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.1 -30.6 68.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.3 0.482 . . . . 25.0 112.3 178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.4 87.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.309 0.576 . . . . 25.0 110.474 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.54 -40.83 80.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.736 0.779 . . . . 25.0 108.921 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD22 HG11 ' A' ' 20' ' ' VAL . 1.6 tt -59.48 -44.07 93.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.058 -0.974 . . . . 25.0 111.036 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.41 -31.2 54.59 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.128 0.489 . . . . 25.0 112.219 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.7 p -63.12 -16.12 58.98 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.766 1.025 . . . . 25.0 113.766 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -84.91 -0.38 53.94 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.579 0.585 . . . . 25.0 112.579 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.6 m -56.79 157.13 5.76 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.411 0.624 . . . . 25.0 111.646 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.12 -27.14 61.52 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.131 0.491 . . . . 25.0 110.035 177.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 p -82.85 154.94 68.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 174.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -75.55 177.05 9.18 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 CA-C-O 121.566 0.569 . . . . 25.0 112.609 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.99 148.5 43.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.195 -0.911 . . . . 25.0 109.54 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -77.77 27.43 0.17 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.706 0.632 . . . . 25.0 112.706 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.7 m -80.87 68.26 7.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.628 0.727 . . . . 25.0 111.719 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 . . . . . 1 C--O 1.307 4.115 0 CA-C-O 114.283 -2.77 . . . . 25.0 111.926 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.929 0 CA-C-O 122.871 1.32 . . . . 25.0 114.097 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -108.6 164.31 12.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.091 -0.959 . . . . 25.0 109.035 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -66.6 147.37 99.01 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 106.314 -1.736 . . . . 25.0 106.314 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.13 -27.68 75.44 Favored 'Trans proline' 0 C--N 1.347 0.496 0 O-C-N 122.338 0.651 . . . . 25.0 112.223 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 p -136.32 101.05 4.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 122.062 0.934 . . . . 25.0 109.63 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -83.41 -22.03 32.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.891 -1.05 . . . . 25.0 109.081 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.1 p -136.01 162.59 32.44 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 173.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 mt -126.1 121.56 33.25 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -160.62 -177.71 6.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.412 -1.329 . . . . 25.0 107.412 -177.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.61 82.97 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 115.112 0.805 . . . . 25.0 115.112 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.03 -29.98 7.54 Favored Glycine 0 C--O 1.225 -0.453 0 CA-C-O 119.264 -0.742 . . . . 25.0 113.614 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.11 -33.34 74.27 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 118.429 1.115 . . . . 25.0 109.216 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.63 -41.45 90.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.924 -0.58 . . . . 25.0 110.762 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.62 -38.49 76.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -47.25 84.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 175.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.9 m -63.18 -40.38 97.36 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -63.41 -37.65 88.09 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.01 -0.431 . . . . 25.0 110.244 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -68.41 -37.89 80.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.567 0.222 . . . . 25.0 110.601 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.35 -50.88 63.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.789 0.328 . . . . 25.0 111.832 177.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG11 HD22 ' A' ' 58' ' ' LEU . 9.1 p -75.73 -29.02 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 113.517 0.932 . . . . 25.0 113.517 -174.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -158.81 27.59 0.22 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.09 -50.28 69.13 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.227 -0.987 . . . . 25.0 115.367 -175.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.2 -35.24 78.28 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 122.034 0.921 . . . . 25.0 111.151 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -83.35 -3.74 57.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.21 -0.905 . . . . 25.0 112.275 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.97 155.03 7.4 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 121.376 0.431 . . . . 25.0 112.58 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -155.58 164.34 38.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.805 -0.813 . . . . 25.0 108.805 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -126.59 159.01 34.75 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.228 -0.656 . . . . 25.0 109.228 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.33 5.79 49.28 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.643 0.735 . . . . 25.0 110.245 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 p -138.11 163.96 30.34 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 105.975 -1.861 . . . . 25.0 105.975 -178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -75.26 -54.47 2.47 Favored Pre-proline 0 N--CA 1.473 0.702 0 C-N-CA 119.798 -0.761 . . . . 25.0 112.908 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.62 138.31 23.86 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 118.413 -0.591 . . . . 25.0 112.005 175.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.88 -36.36 9.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.419 -0.81 . . . . 25.0 109.496 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t 59.55 -165.5 0.2 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.961 -1.018 . . . . 25.0 110.005 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -153.44 39.32 0.5 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.296 0.57 . . . . 25.0 110.779 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 m -141.93 141.18 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 106.464 -1.68 . . . . 25.0 106.464 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.3 t -81.57 71.37 8.58 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.682 0.754 . . . . 25.0 112.493 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -81.71 174.61 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -76.86 50.14 0.69 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.807 0.843 . . . . 25.0 112.715 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 p 74.54 150.78 0.13 Allowed Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.578 1.951 . . . . 25.0 112.561 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -79.0 171.86 15.79 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 120.135 0.557 . . . . 25.0 113.002 -178.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -73.59 170.75 14.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.28 168.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.578 0.704 . . . . 25.0 111.402 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.84 -67.62 0.03 OUTLIER Glycine 0 C--O 1.227 -0.333 0 CA-C-N 115.422 -0.808 . . . . 25.0 111.903 174.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 tp -66.76 -34.74 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 N-CA-C 109.338 -0.616 . . . . 25.0 109.338 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.23 -39.38 85.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.642 0 CA-C-O 121.845 0.831 . . . . 25.0 109.862 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -72.84 -34.03 66.53 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.684 -0.635 . . . . 25.0 111.712 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.55 -32.41 28.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 178.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.1 m -110.84 -14.98 13.9 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 116.423 2.008 . . . . 25.0 116.423 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 45.9 t -112.36 -49.49 2.96 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.204 0.911 . . . . 25.0 110.687 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -77.27 -14.04 59.83 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.133 0.492 . . . . 25.0 110.178 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -139.58 176.59 8.59 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 106.679 -1.6 . . . . 25.0 106.679 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.5 p -96.93 147.2 24.22 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.7 p -142.6 177.99 7.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.888 -0.782 . . . . 25.0 108.888 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -133.55 162.56 31.58 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -56.02 -30.98 62.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.295 0.85 . . . . 25.0 113.295 -175.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.52 80.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.948 0.404 . . . . 25.0 110.739 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 tt -69.27 -41.03 77.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.897 0.856 . . . . 25.0 109.562 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.46 HD22 HG11 ' A' ' 20' ' ' VAL . 1.9 tt -58.23 -43.27 87.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.237 -0.892 . . . . 25.0 110.674 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.39 -19.92 57.67 Favored 'General case' 0 C--O 1.199 -1.592 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.8 p -65.58 -16.71 63.97 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -89.23 1.94 54.98 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.067 0.461 . . . . 25.0 111.885 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.4 t -65.49 154.41 38.63 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.57 -35.4 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.738 0.304 . . . . 25.0 111.158 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.4 p -71.3 150.99 94.35 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -77.91 175.25 11.41 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 N-CA-C 114.243 0.824 . . . . 25.0 114.243 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.83 51.18 1.08 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.746 -1.116 . . . . 25.0 112.962 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.6 tttt 56.2 27.31 11.47 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.855 0.862 . . . . 25.0 112.636 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.0 t -158.17 141.52 15.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 105.419 -2.067 . . . . 25.0 105.419 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 . . . . . 0 C--O 1.303 3.918 0 CA-C-O 115.362 -2.256 . . . . 25.0 113.849 -179.641 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.788 0 CA-C-O 123.317 1.532 . . . . 25.0 114.157 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -70.57 145.68 50.61 Favored 'General case' 0 N--CA 1.458 -0.058 0 O-C-N 121.063 -1.023 . . . . 25.0 109.53 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.02 145.29 93.24 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.628 -0.26 . . . . 25.0 111.44 -178.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -64.97 -43.26 12.21 Favored 'Trans proline' 0 C--O 1.221 -0.373 0 C-N-CA 120.389 0.726 . . . . 25.0 111.194 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -175.85 117.48 0.14 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.311 -0.859 . . . . 25.0 108.692 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -142.95 -77.09 0.25 Allowed 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 172.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.4 p -96.23 143.34 27.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.234 -0.439 . . . . 25.0 111.313 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 mt -141.82 129.62 21.72 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 89.0 m -142.75 161.94 36.78 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.822 0.344 . . . . 25.0 110.609 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.4 -144.81 48.81 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.989 -0.624 . . . . 25.0 112.567 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.77 -23.72 70.94 Favored Glycine 0 C--O 1.212 -1.244 0 C-N-CA 121.169 -0.539 . . . . 25.0 113.311 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.41 -33.69 76.54 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 117.93 0.865 . . . . 25.0 110.612 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 tp -66.93 -42.49 85.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.22 -41.62 92.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -46.43 84.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.146 0.498 . . . . 25.0 110.1 177.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -62.75 -40.75 98.21 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.561 -0.456 . . . . 25.0 111.993 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -65.12 -38.68 91.43 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.117 -0.364 . . . . 25.0 110.479 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -67.0 -35.9 80.97 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -69.03 -50.85 44.99 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG11 HD22 ' A' ' 58' ' ' LEU . 9.8 p -76.27 -30.22 19.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 113.256 0.836 . . . . 25.0 113.256 -173.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.6 m -102.54 -17.48 15.73 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.157 0.799 . . . . 25.0 113.157 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.4 178.4 49.67 Favored Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 109.585 -1.406 . . . . 25.0 109.585 -174.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -70.32 10.11 0.5 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.585 -0.808 . . . . 25.0 112.113 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -82.89 -9.9 59.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.865 -0.522 . . . . 25.0 111.187 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.89 161.58 25.71 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-O 122.558 1.088 . . . . 25.0 114.911 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -157.41 166.11 33.92 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 105.817 -1.92 . . . . 25.0 105.817 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -115.95 144.4 44.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.7 4.83 42.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.679 0.752 . . . . 25.0 110.06 179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -145.04 -176.97 5.3 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 105.594 -2.002 . . . . 25.0 105.594 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -80.35 -53.07 0.92 Allowed Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 115.353 1.612 . . . . 25.0 115.353 176.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.83 144.43 96.84 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 CA-C-N 118.242 0.408 . . . . 25.0 111.655 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.48 -20.52 64.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 25.0 112.134 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 m 47.08 46.5 16.14 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.638 1.347 . . . . 25.0 114.638 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -79.2 50.39 1.06 Allowed 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.443 0.64 . . . . 25.0 111.354 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.89 136.33 26.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 105.723 -1.954 . . . . 25.0 105.723 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 t -78.67 101.21 7.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.161 0.505 . . . . 25.0 110.055 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -128.81 137.47 51.53 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 106.682 -1.599 . . . . 25.0 106.682 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -83.83 23.24 1.02 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.916 0.71 . . . . 25.0 112.916 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.6 t -147.08 96.72 4.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -77.39 157.41 32.94 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 118.085 -0.81 . . . . 25.0 112.628 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -87.36 159.76 18.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.979 -0.749 . . . . 25.0 108.979 176.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -89.52 173.33 8.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.804 -0.634 . . . . 25.0 110.667 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 167.37 -74.68 0.14 Allowed Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.295 -0.478 . . . . 25.0 113.491 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 tp -63.08 -35.11 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 O-C-N 121.961 -0.729 . . . . 25.0 109.948 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.01 -37.12 79.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.687 0.756 . . . . 25.0 110.203 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.7 -33.96 69.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.205 -0.452 . . . . 25.0 111.221 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.36 -33.89 19.0 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -103.07 -20.1 14.31 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 115.498 1.666 . . . . 25.0 115.498 -175.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.6 t -110.51 -44.36 3.7 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.41 1.005 . . . . 25.0 111.182 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -82.76 -16.11 49.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.55 0.69 . . . . 25.0 110.571 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -138.27 -179.39 5.76 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.916 -1.883 . . . . 25.0 105.916 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 p -98.14 149.75 22.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.3 0.571 . . . . 25.0 109.725 174.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.9 p -142.14 176.59 8.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -132.68 161.32 34.27 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 105.397 -2.075 . . . . 25.0 105.397 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.83 -32.27 52.27 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 113.357 0.873 . . . . 25.0 113.357 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.13 82.4 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.96 0.41 . . . . 25.0 111.732 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.25 -40.43 81.95 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 122.034 0.921 . . . . 25.0 109.278 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.496 HD22 HG11 ' A' ' 20' ' ' VAL . 2.0 tt -59.85 -43.09 94.83 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.018 -0.992 . . . . 25.0 110.6 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -58.24 -23.84 57.31 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.66 1.219 . . . . 25.0 113.69 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.6 p -60.16 -21.52 61.76 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.588 1.329 . . . . 25.0 114.588 174.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -86.66 -4.11 59.13 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.375 1.25 . . . . 25.0 114.375 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.2 146.84 53.61 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.051 0.387 . . . . 25.0 110.646 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.32 -22.87 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.096 0.474 . . . . 25.0 111.178 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.2 p -133.27 158.4 75.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.088 -0.505 . . . . 25.0 109.667 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -80.52 176.52 9.06 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 118.404 -0.598 . . . . 25.0 112.344 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.12 119.21 13.98 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.197 -0.91 . . . . 25.0 109.795 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -83.88 72.03 10.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.633 0.73 . . . . 25.0 110.222 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.5 t -81.74 55.67 2.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.131 0.967 . . . . 25.0 110.34 178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 . . . . . 0 C--O 1.3 3.757 0 CA-C-O 113.521 -3.133 . . . . 25.0 110.75 -177.259 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 122.803 1.287 . . . . 25.0 113.938 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -77.27 154.85 32.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.372 -0.831 . . . . 25.0 108.814 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.8 mtt85 -75.01 145.37 80.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.345 -0.983 . . . . 25.0 108.345 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -60.19 -32.79 94.93 Favored 'Trans proline' 0 C--N 1.347 0.454 0 N-CA-C 115.294 1.228 . . . . 25.0 115.294 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -159.78 117.5 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.063 -1.458 . . . . 25.0 107.063 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -105.1 -5.52 20.74 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.583 0.706 . . . . 25.0 110.425 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 p -83.94 111.55 19.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.422 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.5 mt -110.31 123.93 50.73 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 115.392 -0.822 . . . . 25.0 110.011 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.3 m -133.79 158.84 42.34 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.595 -0.73 . . . . 25.0 110.099 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.56 -142.34 47.75 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.646 -0.788 . . . . 25.0 112.465 177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.93 -24.86 70.38 Favored Glycine 0 C--O 1.219 -0.81 0 C-N-CA 121.432 -0.413 . . . . 25.0 113.184 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.38 -38.03 79.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.845 0.831 . . . . 25.0 110.825 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.5 tp -70.58 -41.24 72.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.559 -0.746 . . . . 25.0 109.81 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.85 -44.19 98.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.134 -0.484 . . . . 25.0 110.109 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' HA ' HE21 ' A' ' 18' ' ' GLN . 55.7 m-20 -62.54 -36.06 81.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.697 0.284 . . . . 25.0 110.906 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.0 m -67.92 -40.69 83.35 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.811 -0.355 . . . . 25.0 111.103 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.61 -38.54 91.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.492 HE21 ' HA ' ' A' ' 15' ' ' ASP . 32.4 mt-30 -66.31 -41.51 89.6 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.864 -0.421 . . . . 25.0 109.864 176.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -65.45 -48.86 71.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.01 -30.32 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.023 0.439 . . . . 25.0 111.686 -175.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -91.81 -41.49 10.62 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 113.167 0.803 . . . . 25.0 113.167 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.52 -159.01 33.03 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 104.907 -3.277 . . . . 25.0 104.907 -169.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -66.29 3.62 0.88 Allowed 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -80.08 -10.61 59.78 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.227 -0.92 . . . . 25.0 113.21 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.85 170.44 45.84 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 115.112 0.805 . . . . 25.0 115.112 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -155.65 170.95 20.83 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.8 0.44 . . . . 25.0 110.038 -176.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -118.36 155.97 29.76 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.18 -0.99 52.68 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.372 0.606 . . . . 25.0 110.038 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.0 p -153.28 149.49 27.97 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 106.172 -1.788 . . . . 25.0 106.172 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -58.26 -49.87 91.19 Favored Pre-proline 0 N--CA 1.473 0.699 0 N-CA-C 114.397 1.258 . . . . 25.0 114.397 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.33 136.2 36.35 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 117.349 -1.3 . . . . 25.0 112.486 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.33 18.13 7.51 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.252 -0.886 . . . . 25.0 111.144 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 p -54.46 107.19 0.26 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 113.584 0.957 . . . . 25.0 113.584 -174.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -87.15 49.42 1.81 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.483 -0.781 . . . . 25.0 111.559 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 m -129.67 142.77 43.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 t 48.71 32.63 3.7 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -70.41 135.23 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.794 -0.566 . . . . 25.0 110.802 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -148.34 -49.46 0.16 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.975 -0.557 . . . . 25.0 109.9 171.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.1 m -152.68 147.12 18.85 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 107.433 -1.321 . . . . 25.0 107.433 177.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.75 152.75 58.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 116.876 -1.616 . . . . 25.0 109.73 173.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -126.03 -34.55 2.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.993 0.425 . . . . 25.0 110.53 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -141.41 176.6 8.73 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.18 -128.07 7.05 Favored Glycine 0 C--O 1.22 -0.757 0 N-CA-C 110.737 -0.945 . . . . 25.0 110.737 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 tp -56.38 -29.57 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 117.133 0.466 . . . . 25.0 111.374 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -67.7 -30.94 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 121.719 -0.613 . . . . 25.0 111.143 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -68.94 -36.45 77.96 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -79.59 -43.6 22.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.767 -0.652 . . . . 25.0 112.375 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.7 m -108.59 -13.9 14.73 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 116.463 2.023 . . . . 25.0 116.463 -170.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -109.17 -45.01 3.83 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.274 0.943 . . . . 25.0 110.708 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -83.78 -16.01 46.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.349 0.595 . . . . 25.0 110.561 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -138.45 173.87 11.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.354 -2.091 . . . . 25.0 105.354 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.2 p -92.99 153.24 18.86 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.5 p -141.87 164.24 30.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.197 0.523 . . . . 25.0 111.321 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -108.54 157.99 17.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -59.09 -29.3 67.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.805 0.668 . . . . 25.0 112.805 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.51 82.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.2 0.524 . . . . 25.0 110.305 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.76 -42.17 86.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.963 0.887 . . . . 25.0 109.071 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tt -58.9 -42.95 90.81 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.06 -0.973 . . . . 25.0 110.82 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -57.84 -21.04 40.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.0 p -68.09 -16.2 63.91 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.282 -0.886 . . . . 25.0 112.465 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -93.89 -0.68 55.57 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.691 0.396 . . . . 25.0 110.887 175.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.8 t -72.52 156.35 39.11 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.36 -20.63 60.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.821 0.343 . . . . 25.0 111.021 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.5 p -131.01 155.69 81.21 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.523 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -78.19 -179.32 5.34 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 120.259 0.639 . . . . 25.0 112.734 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.6 134.49 56.8 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.51 0.672 . . . . 25.0 110.481 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -103.11 43.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.52 -0.763 . . . . 25.0 111.621 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -134.78 58.9 1.75 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.814 0.816 . . . . 25.0 111.637 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 . . . . . 0 C--O 1.296 3.535 0 CA-C-O 114.67 -2.586 . . . . 25.0 111.707 178.095 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.885 0 CA-C-O 122.957 1.361 . . . . 25.0 114.379 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -105.67 163.47 12.66 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.235 -0.893 . . . . 25.0 109.631 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -109.33 157.67 36.61 Favored Pre-proline 0 C--O 1.216 -0.683 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.4 -36.32 94.21 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 117.971 -0.886 . . . . 25.0 112.8 173.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -99.84 58.14 1.02 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.511 0.93 . . . . 25.0 113.511 -175.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -76.28 -26.44 55.9 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.43 ' HB ' ' HA ' ' A' ' 49' ' ' CYS . 1.1 p -78.12 146.1 35.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.382 -0.827 . . . . 25.0 110.795 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -102.41 114.32 28.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.288 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -125.28 -57.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.942 1.46 . . . . 25.0 114.942 -174.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.89 -134.67 6.49 Favored Glycine 0 C--O 1.222 -0.619 0 CA-C-N 116.323 -0.399 . . . . 25.0 113.363 -175.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.33 -24.48 55.78 Favored Glycine 0 C--O 1.216 -1.024 0 C-N-CA 121.217 -0.516 . . . . 25.0 113.45 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.92 -32.94 73.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.15 -0.618 . . . . 25.0 111.767 176.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.34 -40.35 70.77 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.36 -43.76 98.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.34 -47.12 82.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.287 0.565 . . . . 25.0 110.575 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -64.07 -38.73 92.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.958 0.408 . . . . 25.0 111.945 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.23 -38.79 91.49 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.092 -0.38 . . . . 25.0 110.114 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.34 -39.17 81.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.63 -47.23 82.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.7 -25.57 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 N-CA-C 112.33 0.493 . . . . 25.0 112.33 -175.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.6 m -99.18 -29.63 12.73 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.303 1.964 . . . . 25.0 116.303 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.95 -172.52 54.33 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 108.128 -1.989 . . . . 25.0 108.128 -168.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.95 -3.94 2.94 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.963 1.468 . . . . 25.0 114.963 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -80.54 -5.93 57.47 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.045 1.128 . . . . 25.0 114.045 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.95 179.21 50.0 Favored Glycine 0 C--O 1.228 -0.259 0 N-CA-C 116.663 1.425 . . . . 25.0 116.663 173.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -158.77 170.9 21.11 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.321 -1.363 . . . . 25.0 107.321 -174.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -121.58 130.0 53.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 175.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -46.25 64.77 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 176.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 m -84.08 36.24 0.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 114.425 1.268 . . . . 25.0 114.425 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 69.32 151.05 0.13 Allowed Pre-proline 0 N--CA 1.488 1.443 0 C-N-CA 125.797 1.639 . . . . 25.0 111.145 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -67.66 163.44 35.12 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 118.364 -0.624 . . . . 25.0 112.683 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.85 -18.64 61.42 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 120.939 0.4 . . . . 25.0 110.851 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -58.08 97.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 117.424 2.379 . . . . 25.0 117.424 -173.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 62.43 2.93 0.96 Allowed 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 115.895 1.813 . . . . 25.0 115.895 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.2 m -123.84 28.77 2.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 122.946 1.355 . . . . 25.0 107.699 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.32 67.4 0.19 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 113.154 -1.839 . . . . 25.0 114.194 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -78.11 1.79 20.04 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.623 -0.673 . . . . 25.0 112.73 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 53.26 33.42 15.43 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 114.251 1.204 . . . . 25.0 114.251 174.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -127.58 137.05 29.9 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.767 -0.827 . . . . 25.0 108.767 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -67.08 145.06 72.0 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 116.506 -1.863 . . . . 25.0 109.305 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -156.61 174.84 14.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.367 -0.208 . . . . 25.0 111.144 -171.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -109.46 -93.56 0.42 Allowed 'General case' 0 C--O 1.209 -1.07 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.07 -73.1 2.58 Favored Glycine 0 C--O 1.22 -0.727 0 N-CA-C 114.945 0.738 . . . . 25.0 114.945 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 tp -59.46 -41.63 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 118.222 1.011 . . . . 25.0 113.254 -173.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.02 -30.96 24.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 O-C-N 121.16 -0.962 . . . . 25.0 109.69 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -73.35 -34.01 65.4 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.201 -0.937 . . . . 25.0 110.99 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -84.63 -20.98 30.49 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.2 m -110.02 -13.3 14.42 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.312 1.597 . . . . 25.0 115.312 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.43 ' HA ' ' HB ' ' A' ' 7' ' ' THR . 42.3 t -112.74 -50.76 2.87 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -78.03 -17.47 57.03 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.486 0.66 . . . . 25.0 109.523 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -143.04 171.05 14.58 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 104.11 -2.552 . . . . 25.0 104.11 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 p -91.54 158.19 16.6 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -140.05 160.87 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.846 -0.427 . . . . 25.0 109.846 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -96.54 155.01 16.95 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.977 -1.12 . . . . 25.0 107.977 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pp -59.08 -29.95 67.72 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 120.651 0.263 . . . . 25.0 110.952 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.81 75.63 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.019 0.438 . . . . 25.0 110.749 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.56 -40.44 80.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.741 0.781 . . . . 25.0 109.84 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.76 -42.52 93.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.221 -0.899 . . . . 25.0 110.066 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -57.5 -25.01 59.16 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -177.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.8 p -63.7 -16.1 60.17 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -86.76 0.63 54.38 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 112.16 0.429 . . . . 25.0 112.16 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 t -64.99 161.03 19.47 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.616 0.969 . . . . 25.0 113.616 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.11 -20.11 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.116 -0.493 . . . . 25.0 111.329 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.5 p -124.82 155.34 70.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 111.946 0.35 . . . . 25.0 111.946 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -80.84 179.92 5.63 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 120.914 1.076 . . . . 25.0 113.353 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.65 149.77 45.77 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.508 -0.769 . . . . 25.0 109.535 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -122.27 47.43 1.92 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.946 0.879 . . . . 25.0 110.349 -177.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 m -79.47 58.82 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -177.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 1 C--O 1.308 4.18 0 CA-C-O 113.819 -2.991 . . . . 25.0 111.736 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 123.644 1.688 . . . . 25.0 114.392 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -93.06 161.19 14.53 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 114.907 -1.042 . . . . 25.0 110.25 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -89.53 145.3 33.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 104.886 -2.264 . . . . 25.0 104.886 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -55.57 -33.81 87.9 Favored 'Trans proline' 0 C--N 1.347 0.458 0 N-CA-C 117.846 2.21 . . . . 25.0 117.846 -173.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -147.95 57.12 1.09 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 -175.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -123.4 -29.65 3.78 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 p -124.02 145.26 49.32 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 mt -135.51 130.54 34.79 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.519 0.728 . . . . 25.0 109.73 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.05 -179.65 8.23 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.697 -0.483 . . . . 25.0 109.697 -178.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.45 33.11 74.87 Favored Glycine 0 C--O 1.219 -0.828 0 N-CA-C 116.191 1.237 . . . . 25.0 116.191 171.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.32 -25.97 17.81 Favored Glycine 0 C--O 1.219 -0.798 0 C-N-CA 120.843 -0.694 . . . . 25.0 113.447 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -63.68 -29.24 70.5 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 122.187 0.994 . . . . 25.0 109.106 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.7 tp -62.41 -40.39 96.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.363 -0.835 . . . . 25.0 110.416 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.66 -39.41 78.15 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.639 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.21 -44.06 87.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.776 0.798 . . . . 25.0 109.63 176.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -65.05 -40.19 94.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.72 -0.612 . . . . 25.0 112.262 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.08 -37.91 89.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.67 -40.49 84.43 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.83 -50.45 66.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.452 0.908 . . . . 25.0 113.452 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.403 HG11 HD22 ' A' ' 58' ' ' LEU . 7.2 p -68.24 -26.29 33.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 O-C-N 121.872 -0.517 . . . . 25.0 112.187 -175.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.9 m -102.38 -41.03 6.46 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 115.368 1.618 . . . . 25.0 115.368 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.34 -150.12 46.56 Favored Glycine 0 N--CA 1.432 -1.625 0 N-CA-C 108.735 -1.746 . . . . 25.0 108.735 -172.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.47 -19.7 26.01 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 112.55 -1.825 . . . . 25.0 115.921 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -73.59 -14.48 61.2 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.627 -0.671 . . . . 25.0 112.797 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.09 173.96 49.21 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 115.059 0.783 . . . . 25.0 115.059 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -157.4 170.37 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 -176.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -134.78 157.02 47.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.225 -0.658 . . . . 25.0 109.225 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.99 -13.6 52.89 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.716 0.77 . . . . 25.0 111.017 -177.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.7 p -131.63 153.62 49.75 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 104.146 -2.539 . . . . 25.0 104.146 177.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -56.35 -49.91 90.67 Favored Pre-proline 0 N--CA 1.475 0.817 0 N-CA-C 117.14 2.274 . . . . 25.0 117.14 -176.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.86 127.8 14.19 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 117.593 -1.138 . . . . 25.0 114.021 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.76 -36.53 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.539 -1.209 . . . . 25.0 111.008 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.3 t 56.73 -156.96 0.28 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.202 -0.908 . . . . 25.0 109.675 -174.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -130.66 14.16 5.41 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.083 0.468 . . . . 25.0 110.085 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.41 117.21 35.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.2 t -76.72 105.36 7.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -96.61 131.71 42.99 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.988 -1.116 . . . . 25.0 107.988 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -75.28 13.72 0.68 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.953 1.094 . . . . 25.0 113.953 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.9 t -142.33 89.66 8.43 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -74.63 164.43 33.78 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 118.005 -0.864 . . . . 25.0 112.439 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -83.26 175.2 10.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 175.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.01 170.5 9.74 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.59 -89.08 0.13 Allowed Glycine 0 C--N 1.324 -0.096 0 C-N-CA 121.135 -0.555 . . . . 25.0 113.11 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.429 HD11 ' HG ' ' A' ' 58' ' ' LEU . 7.2 tp -59.12 -35.29 56.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.206 0.527 . . . . 25.0 111.724 -177.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.31 -38.0 78.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 121.581 -0.7 . . . . 25.0 111.259 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -73.04 -33.88 65.96 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.267 -0.973 . . . . 25.0 111.09 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.31 -23.1 30.41 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 94.7 m -110.49 -19.0 13.09 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 115.048 1.499 . . . . 25.0 115.048 -177.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.0 t -106.57 -52.05 2.85 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.905 0.775 . . . . 25.0 110.721 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -78.69 -15.72 58.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.293 0.568 . . . . 25.0 110.765 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -140.69 168.61 19.39 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 105.386 -2.079 . . . . 25.0 105.386 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.7 p -90.17 150.52 21.98 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.7 p -139.78 167.97 20.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.195 0.521 . . . . 25.0 110.266 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -120.6 157.01 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.19 -31.94 61.8 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 113.408 0.892 . . . . 25.0 113.408 -178.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.67 96.03 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.168 0.509 . . . . 25.0 111.473 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -72.17 -39.57 68.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.807 0.813 . . . . 25.0 109.413 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' A' ' 44' ' ' ILE . 2.3 tt -59.69 -43.25 94.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.08 -0.964 . . . . 25.0 109.921 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -56.48 -20.94 22.52 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 113.429 0.9 . . . . 25.0 113.429 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.7 p -68.27 -16.11 63.83 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.254 -0.903 . . . . 25.0 112.725 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -94.27 2.04 55.91 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.348 0.594 . . . . 25.0 111.059 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.6 t -70.52 162.51 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.18 -28.96 69.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.732 0.642 . . . . 25.0 112.732 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 p -84.56 153.16 61.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 122.206 -0.309 . . . . 25.0 111.275 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -74.38 178.4 7.08 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 120.215 0.61 . . . . 25.0 112.812 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.7 134.08 56.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.815 -0.63 . . . . 25.0 110.517 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -84.27 31.57 0.51 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 173.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.7 t 42.93 53.15 5.12 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 123.237 1.494 . . . . 25.0 112.186 -176.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 . . . . . 0 C--O 1.302 3.832 0 CA-C-O 113.081 -3.342 . . . . 25.0 111.204 -176.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 123.581 1.657 . . . . 25.0 114.339 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -79.27 141.8 36.73 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.152 -0.931 . . . . 25.0 111.007 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -78.01 155.73 79.94 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 107.613 -1.254 . . . . 25.0 107.613 174.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -57.16 -26.0 67.15 Favored 'Trans proline' 0 C--N 1.349 0.595 0 N-CA-C 116.771 1.797 . . . . 25.0 116.771 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -139.02 105.14 5.22 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.09 -15.01 7.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.896 -1.047 . . . . 25.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 p -81.58 150.81 27.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.65 100.26 8.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.905 0.86 . . . . 25.0 110.395 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -149.54 -166.03 2.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.236 -0.893 . . . . 25.0 110.033 -174.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.22 32.33 83.5 Favored Glycine 0 C--O 1.219 -0.813 0 N-CA-C 115.168 0.827 . . . . 25.0 115.168 171.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.85 -28.18 5.59 Favored Glycine 0 C--O 1.227 -0.318 0 C-N-CA 120.867 -0.683 . . . . 25.0 113.024 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -65.7 -23.87 66.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.917 0.858 . . . . 25.0 109.549 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.9 tp -59.51 -43.94 93.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.534 -0.303 . . . . 25.0 110.547 173.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.48 -40.89 85.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -57.57 -40.75 79.65 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.5 0.667 . . . . 25.0 109.831 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 m -69.78 -39.73 76.46 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 121.724 -0.61 . . . . 25.0 112.458 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.58 -38.64 90.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.988 -0.745 . . . . 25.0 108.988 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.33 -37.41 80.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.893 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -66.97 -47.87 70.24 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.91 -0.494 . . . . 25.0 112.101 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.65 -32.07 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 N-CA-C 112.406 0.521 . . . . 25.0 112.406 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -160.31 33.85 0.17 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.485 1.661 . . . . 25.0 115.485 -176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.09 -27.09 68.34 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.646 -0.788 . . . . 25.0 113.979 -178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -74.26 -18.54 60.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.944 0.402 . . . . 25.0 111.305 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -93.89 -25.83 17.15 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 120.99 0.424 . . . . 25.0 110.59 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.18 160.81 35.69 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 108.697 -1.761 . . . . 25.0 108.697 -171.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -155.78 166.81 32.38 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -130.86 160.97 32.86 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.43 -1.88 57.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.11 0.481 . . . . 25.0 111.387 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -137.12 155.63 49.36 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.969 -1.863 . . . . 25.0 105.969 175.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -62.54 -52.65 63.83 Favored Pre-proline 0 N--CA 1.471 0.61 0 C-N-CA 120.499 -0.48 . . . . 25.0 111.994 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.23 142.19 33.48 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 116.961 -1.559 . . . . 25.0 111.33 173.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.24 -24.64 10.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.832 -0.622 . . . . 25.0 110.362 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t 51.25 27.04 3.28 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.098 1.147 . . . . 25.0 114.098 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 57.96 22.57 8.93 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.706 1.002 . . . . 25.0 113.706 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.09 164.86 26.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 CA-C-O 122.187 0.994 . . . . 25.0 109.564 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.0 t -149.85 59.64 0.99 Allowed 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 105.961 -1.866 . . . . 25.0 105.961 172.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -131.0 145.24 51.99 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 105.391 -2.077 . . . . 25.0 105.391 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 60.87 27.04 16.88 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 124.553 1.158 . . . . 25.0 109.002 -168.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.4 p 64.09 150.68 0.11 Allowed Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 126.112 1.765 . . . . 25.0 114.114 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -66.79 150.54 83.33 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 116.644 -1.771 . . . . 25.0 110.533 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -69.43 167.13 17.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.966 0.889 . . . . 25.0 110.868 -176.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -74.74 161.35 29.71 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.173 -0.921 . . . . 25.0 109.842 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.61 -69.19 0.16 Allowed Glycine 0 C--O 1.226 -0.377 0 N-CA-C 110.466 -1.054 . . . . 25.0 110.466 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.5 HD11 ' HG ' ' A' ' 58' ' ' LEU . 4.4 tp -59.09 -41.25 82.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.883 0.373 . . . . 25.0 110.114 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.15 -32.94 59.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.95 0.405 . . . . 25.0 110.609 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.94 -33.54 65.99 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 119.557 -0.857 . . . . 25.0 110.425 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -83.53 -35.69 24.62 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -101.59 -19.61 15.39 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 116.462 2.023 . . . . 25.0 116.462 -173.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.4 t -112.32 -45.29 3.28 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.252 0.478 . . . . 25.0 111.507 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -79.04 -15.37 58.32 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.958 0.409 . . . . 25.0 110.019 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -144.47 -179.62 6.67 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 104.117 -2.549 . . . . 25.0 104.117 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 m -96.94 153.02 18.15 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 175.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.3 p -143.72 164.94 29.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 25.0 110.764 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -103.62 156.83 17.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.534 -0.757 . . . . 25.0 109.572 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.85 -29.66 63.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.423 0.289 . . . . 25.0 111.633 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.72 -48.5 63.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 25.0 110.596 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.98 -40.03 87.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.777 0.798 . . . . 25.0 109.853 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' HG ' HD11 ' A' ' 44' ' ' ILE . 3.0 tt -58.07 -44.85 87.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.037 -0.983 . . . . 25.0 110.035 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -60.89 -19.25 60.08 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.288 0.847 . . . . 25.0 113.288 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.9 p -69.57 -16.05 63.34 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.069 -1.019 . . . . 25.0 112.866 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -86.44 1.54 50.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.96 0.409 . . . . 25.0 112.047 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.3 m -74.62 162.19 28.99 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.876 -0.787 . . . . 25.0 108.876 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -18.68 64.42 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.026 0.441 . . . . 25.0 111.38 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 p -120.9 159.83 47.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -75.35 177.82 8.14 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 118.124 -0.784 . . . . 25.0 112.289 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.96 130.19 43.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.92 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -85.16 42.7 0.96 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.832 0.825 . . . . 25.0 110.763 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.6 m -122.29 65.68 0.93 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.294 -0.866 . . . . 25.0 111.23 -176.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 . . . . . 0 C--O 1.304 3.961 0 CA-C-O 115.632 -2.128 . . . . 25.0 113.731 -178.509 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 122.371 1.082 . . . . 25.0 113.748 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -68.67 145.84 53.52 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.309 -0.86 . . . . 25.0 111.896 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -90.44 154.61 46.46 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 107.042 -1.466 . . . . 25.0 107.042 174.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.77 -28.86 88.11 Favored 'Trans proline' 0 C--N 1.348 0.524 0 N-CA-C 113.852 0.674 . . . . 25.0 113.852 176.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m -142.05 102.69 4.18 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -84.21 -14.22 50.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.751 0.786 . . . . 25.0 109.544 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -116.87 157.63 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 106.43 -1.693 . . . . 25.0 106.43 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.66 98.87 12.02 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.35 1.072 . . . . 25.0 110.185 -174.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.41 -168.5 3.12 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.259 -1.337 . . . . 25.0 110.319 -172.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.33 28.86 73.99 Favored Glycine 0 C--O 1.219 -0.795 0 N-CA-C 114.975 0.75 . . . . 25.0 114.975 173.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.93 -27.4 6.7 Favored Glycine 0 C--O 1.225 -0.457 0 CA-C-O 119.348 -0.695 . . . . 25.0 113.235 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -64.78 -23.57 67.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.24 1.02 . . . . 25.0 109.408 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.03 -41.03 82.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.71 174.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.26 -40.14 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.179 -0.675 . . . . 25.0 109.179 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.61 -39.95 93.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.408 0.623 . . . . 25.0 109.516 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -65.74 -41.65 91.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.827 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.27 -36.93 81.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.491 0.662 . . . . 25.0 109.825 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -70.65 -33.45 70.98 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.066 -0.515 . . . . 25.0 111.196 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -73.86 -49.41 25.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.211 0.819 . . . . 25.0 113.211 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.455 HG11 HD22 ' A' ' 58' ' ' LEU . 9.9 p -73.36 -27.51 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -174.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 m -130.85 -54.47 1.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.967 0.729 . . . . 25.0 112.967 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.58 -102.21 0.18 Allowed Glycine 0 CA--C 1.517 0.208 0 N-CA-C 115.877 1.111 . . . . 25.0 115.877 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.5 -13.6 62.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 122.827 0.451 . . . . 25.0 112.063 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -71.39 -15.5 62.37 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 174.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.14 157.1 13.67 Favored Glycine 0 C--O 1.226 -0.362 0 N-CA-C 110.113 -1.195 . . . . 25.0 110.113 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 51.3 p90 -160.12 160.62 33.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.679 0.739 . . . . 25.0 110.572 178.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -131.38 161.17 33.01 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.385 -0.968 . . . . 25.0 108.385 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.34 -50.75 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 178.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 p -82.12 152.96 26.29 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.038 -1.838 . . . . 25.0 106.038 172.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.8 -50.18 89.39 Favored Pre-proline 0 CA--C 1.545 0.76 0 N-CA-C 113.476 0.917 . . . . 25.0 113.476 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -71.66 145.42 46.59 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 117.298 -1.335 . . . . 25.0 111.564 172.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.16 -26.83 67.61 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.359 0.503 . . . . 25.0 112.359 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t 61.89 -164.99 0.24 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.39 -0.823 . . . . 25.0 110.506 -175.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -145.78 54.0 1.17 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.944 0.878 . . . . 25.0 108.86 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.2 m -131.38 170.85 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 105.939 -1.875 . . . . 25.0 105.939 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -113.26 -154.91 0.55 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 105.875 -1.898 . . . . 25.0 105.875 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 59.73 -177.76 0.09 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.736 1.214 . . . . 25.0 111.34 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -124.57 49.23 1.84 Allowed 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 177.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -59.47 148.96 72.07 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.352 -0.84 . . . . 25.0 109.969 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.74 151.46 84.37 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 117.849 -0.967 . . . . 25.0 111.766 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -149.69 165.86 31.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -86.75 -168.38 2.22 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.386 -1.339 . . . . 25.0 107.386 176.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.05 -102.68 2.89 Favored Glycine 0 C--O 1.224 -0.522 0 CA-C-N 118.41 0.55 . . . . 25.0 112.154 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 tp -58.91 -32.04 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 117.339 0.57 . . . . 25.0 111.682 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.83 -36.09 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.542 0.687 . . . . 25.0 110.259 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.77 -38.17 70.37 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.723 -0.611 . . . . 25.0 110.418 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.45 -29.69 27.86 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.857 1.429 . . . . 25.0 114.857 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.6 m -109.45 -17.19 13.83 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.982 1.845 . . . . 25.0 115.982 -175.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.0 t -114.69 -44.07 3.1 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -82.95 -15.92 49.41 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.97 0.891 . . . . 25.0 109.003 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -127.84 -159.71 0.96 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 102.291 -3.225 . . . . 25.0 102.291 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 t -136.76 150.92 48.66 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 104.748 -2.316 . . . . 25.0 104.748 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.406 ' HB2' HD22 ' A' ' 57' ' ' LEU . 22.5 p -136.84 163.44 30.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.098 0.475 . . . . 25.0 111.938 -172.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -99.68 160.58 14.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 174.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.65 -30.43 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.13 91.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.157 0.504 . . . . 25.0 110.475 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.406 HD22 ' HB2' ' A' ' 53' ' ' CYS . 6.8 tt -68.95 -41.7 77.66 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.455 HD22 HG11 ' A' ' 20' ' ' VAL . 2.0 tt -58.89 -42.66 90.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.616 -0.72 . . . . 25.0 110.611 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -56.95 -24.08 50.24 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 p -68.04 -16.33 63.98 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.237 -0.915 . . . . 25.0 113.219 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -89.74 1.95 55.46 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.108 0.48 . . . . 25.0 110.921 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 81.5 m -77.85 158.1 29.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 25.0 110.949 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.11 -28.47 62.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.198 -0.456 . . . . 25.0 112.225 -173.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.8 p -126.7 151.92 74.07 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -85.22 176.82 5.57 Favored 'Trans proline' 0 C--O 1.236 0.417 0 N-CA-C 114.076 0.76 . . . . 25.0 114.076 -175.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.06 100.87 3.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.828 -1.078 . . . . 25.0 108.344 174.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -80.32 75.99 7.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.758 0.313 . . . . 25.0 111.163 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.8 t -77.76 74.37 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.903 0.858 . . . . 25.0 110.613 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 C--O 1.297 3.56 0 CA-C-O 114.835 -2.507 . . . . 25.0 112.383 -179.107 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 123.114 1.435 . . . . 25.0 114.059 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -96.55 157.72 15.77 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.289 -0.869 . . . . 25.0 109.059 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 148.5 96.25 Favored Pre-proline 0 C--O 1.239 0.544 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.34 -35.5 91.04 Favored 'Trans proline' 0 C--N 1.345 0.385 0 N-CA-C 114.511 0.927 . . . . 25.0 114.511 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 m -174.74 141.75 0.65 Allowed 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 101.291 -3.596 . . . . 25.0 101.291 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -88.6 -18.4 28.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.053 -0.976 . . . . 25.0 108.561 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 p -89.55 140.14 29.84 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.395 -1.706 . . . . 25.0 106.395 173.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.86 110.95 17.35 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.78 -1.192 . . . . 25.0 107.78 -176.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.85 -163.1 1.5 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.338 -170.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.49 29.28 72.99 Favored Glycine 0 C--O 1.218 -0.9 0 N-CA-C 115.23 0.852 . . . . 25.0 115.23 174.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.14 -28.3 6.24 Favored Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.923 -0.655 . . . . 25.0 112.739 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -63.86 -25.01 67.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.606 0.703 . . . . 25.0 109.492 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.41 -39.73 88.46 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.843 175.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.05 -40.56 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -37.92 87.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.477 0.656 . . . . 25.0 109.79 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -67.72 -40.45 84.26 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.547 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.68 -36.96 84.59 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -69.01 -37.95 78.95 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.468 -0.333 . . . . 25.0 110.822 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -68.24 -48.2 65.73 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -74.13 -31.1 28.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 O-C-N 122.207 -0.308 . . . . 25.0 111.623 -175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.6 m -129.85 -56.14 1.13 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.597 1.332 . . . . 25.0 114.597 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.62 -106.51 0.6 Allowed Glycine 0 N--CA 1.462 0.385 0 N-CA-C 115.665 1.026 . . . . 25.0 115.665 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -59.13 -28.37 66.49 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.72 0.808 . . . . 25.0 112.54 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -64.06 -16.62 62.12 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.395 -0.366 . . . . 25.0 111.143 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.94 147.37 10.1 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.278 -1.129 . . . . 25.0 110.278 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.525 ' HA ' ' HA ' ' A' ' 62' ' ' CYS . 48.4 p90 -158.13 163.47 37.57 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -136.2 158.72 43.74 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.32 -12.0 59.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 174.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 m -103.39 151.5 22.7 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.503 -0.771 . . . . 25.0 111.459 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -60.87 -48.81 91.75 Favored Pre-proline 0 N--CA 1.474 0.742 0 N-CA-C 115.494 1.664 . . . . 25.0 115.494 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.71 125.71 13.64 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 117.246 -1.369 . . . . 25.0 114.131 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.51 3.55 49.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.337 -1.302 . . . . 25.0 113.809 -175.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -71.4 22.11 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 117.587 2.439 . . . . 25.0 117.587 -170.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 54.88 22.84 4.52 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.626 1.713 . . . . 25.0 115.626 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.1 m -127.13 125.38 66.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.874 0.845 . . . . 25.0 111.116 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 t -108.98 11.24 26.01 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.573 -0.74 . . . . 25.0 110.701 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -67.71 -12.31 60.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.884 0.698 . . . . 25.0 112.884 -176.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.79 12.35 7.47 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.9 t 48.53 66.3 5.9 Favored Pre-proline 0 N--CA 1.476 0.837 0 CA-C-O 121.298 0.57 . . . . 25.0 112.271 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -72.21 159.84 48.71 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 117.458 -1.228 . . . . 25.0 112.589 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -144.47 168.28 20.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 105.448 -2.056 . . . . 25.0 105.448 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 49.41 -120.23 1.39 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.981 0.801 . . . . 25.0 113.082 172.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.97 -118.14 5.08 Favored Glycine 0 C--O 1.223 -0.556 0 C-N-CA 120.975 -0.631 . . . . 25.0 113.192 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.402 HD11 ' HG ' ' A' ' 58' ' ' LEU . 4.1 tp -51.18 -33.88 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.511 0.724 . . . . 25.0 112.112 -176.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.6 m -68.92 -26.21 31.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 O-C-N 121.888 -0.507 . . . . 25.0 112.169 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.7 -33.97 73.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 -177.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.65 -36.21 14.51 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 113.498 0.925 . . . . 25.0 113.498 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.7 m -108.71 -10.89 15.13 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 117.131 2.271 . . . . 25.0 117.131 -173.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.6 t -116.27 -46.97 2.77 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.393 0.997 . . . . 25.0 111.513 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -80.93 -15.15 57.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.136 -0.69 . . . . 25.0 109.136 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -136.3 168.65 19.03 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 106.03 -1.841 . . . . 25.0 106.03 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 p -92.04 154.01 19.04 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.3 p -145.88 160.86 41.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.552 0.691 . . . . 25.0 112.781 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -89.07 156.02 19.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.009 -0.996 . . . . 25.0 108.447 175.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 pp -60.08 -29.65 68.71 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 120.627 0.251 . . . . 25.0 110.495 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.98 -42.45 80.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.049 0.452 . . . . 25.0 111.081 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.03 -42.8 75.88 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.825 -0.805 . . . . 25.0 108.825 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HG ' HD11 ' A' ' 44' ' ' ILE . 2.9 tt -57.84 -42.09 83.69 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.011 -0.995 . . . . 25.0 110.052 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -57.36 -24.27 54.26 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.523 0.934 . . . . 25.0 113.523 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 36.5 p -67.05 -19.52 65.69 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.389 -0.819 . . . . 25.0 113.16 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -79.67 0.33 30.74 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.415 0.626 . . . . 25.0 112.255 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 26' ' ' PHE . 71.0 m -77.67 165.91 23.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.672 0.748 . . . . 25.0 111.131 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.23 -23.45 61.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -102.93 158.56 31.52 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 107.367 -1.346 . . . . 25.0 107.367 172.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.75 178.84 7.1 Favored 'Trans proline' 0 C--O 1.238 0.499 0 C-N-CA 118.065 -0.823 . . . . 25.0 110.927 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.25 135.61 57.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.93 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -95.97 10.68 36.59 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.979 0.895 . . . . 25.0 110.579 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.74 43.96 0.71 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 122.342 1.068 . . . . 25.0 112.253 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.303 3.885 0 CA-C-O 115.854 -2.022 . . . . 25.0 114.382 -179.136 . . . . . . . . 1 1 . 1 stop_ save_