data_2mvc_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 2mvc _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 ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--O 1.223 -0.338 0 CA-C-O 120.834 0.35 . . . . 50.0 110.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -62.58 -41.36 98.89 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.914 -0.491 . . . . 25.0 111.39 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.37 -40.89 83.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.834 0.35 . . . . 50.0 110.338 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -79.77 -30.63 40.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.38 0.511 . . . . 50.0 112.38 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.1 m -73.91 -47.88 34.74 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.615 -0.434 . . . . 50.0 111.685 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 t -88.16 -17.53 30.73 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.543 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.4 t -143.27 -168.67 2.86 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.586 -0.894 . . . . 50.0 108.586 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mt -107.18 105.49 18.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.537 0.684 . . . . 50.0 111.096 -169.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 m -74.08 122.4 22.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.0 p -75.75 169.87 17.28 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.573 -1.64 . . . . 50.0 106.573 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.92 -27.9 65.71 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 122.268 -0.27 . . . . 50.0 111.447 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -67.69 -38.87 84.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.904 0.383 . . . . 50.0 110.897 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -70.3 -39.15 75.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.138 -0.69 . . . . 50.0 109.138 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.498 -0.773 . . . . 50.0 112.879 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -52.19 -30.98 29.61 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.317 0.858 . . . . 50.0 113.317 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -60.82 -26.89 67.65 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.802 1.038 . . . . 50.0 113.802 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -71.67 -4.85 29.66 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.989 0.366 . . . . 50.0 111.989 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -143.39 -178.33 5.82 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.735 0.779 . . . . 50.0 110.409 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--O 1.212 -0.917 0 CA-C-O 122.852 1.311 . . . . 50.0 111.961 178.732 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.2 t -113.09 130.91 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 107.335 -1.358 . . . . 25.0 107.335 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -73.94 135.55 43.25 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.661 0.744 . . . . 50.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -160.32 148.86 16.85 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 105.096 -2.187 . . . . 50.0 105.096 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.543 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 81.9 m-70 -66.96 141.47 57.6 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.691 -1.966 . . . . 50.0 105.691 167.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.8 mt -126.76 105.41 8.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.205 0.526 . . . . 50.0 111.899 -172.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.75 157.18 46.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.13 -1.063 . . . . 50.0 108.13 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.68 -141.09 47.48 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.627 -0.797 . . . . 25.0 112.282 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -59.91 -28.86 67.95 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -61.55 -40.44 94.7 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.757 -0.589 . . . . 50.0 110.285 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.63 -43.5 89.33 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.906 -0.405 . . . . 50.0 109.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.08 -46.39 96.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.893 0.377 . . . . 25.0 111.195 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -69.36 -28.65 66.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.666 -0.646 . . . . 50.0 112.147 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.06 74.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.45 -32.79 74.6 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.856 0.687 . . . . 50.0 112.856 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -56.97 -42.03 79.41 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.982 0.42 . . . . 25.0 110.028 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.8 -44.04 64.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.454 0.909 . . . . 50.0 113.454 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.5 t -73.07 -40.9 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 50.0 110.89 -173.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.5 m -83.44 -22.3 32.67 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.649 -0.42 . . . . 50.0 111.126 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.28 -143.01 48.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.461 -0.876 . . . . 25.0 112.753 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.01 -9.27 37.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.338 1.236 . . . . 50.0 114.338 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -70.62 -22.59 62.51 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.998 -0.439 . . . . 50.0 111.192 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.81 178.88 47.27 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 109.501 -1.44 . . . . 50.0 109.501 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -160.55 176.25 11.8 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -134.0 168.1 19.41 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.147 -1.057 . . . . 50.0 108.147 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.7 t80 . . . . . 0 C--N 1.322 -0.626 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 178.894 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--O 1.219 -0.549 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -58.54 -42.59 88.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.641 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -64.02 -39.99 95.33 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 121.015 -0.274 . . . . 50.0 111.461 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.0 m -73.28 -31.85 64.31 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.141 -0.623 . . . . 50.0 111.471 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.3 m -71.72 -45.21 62.5 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.979 -0.288 . . . . 50.0 111.406 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 t -88.03 -21.71 24.62 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.492 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 7.6 t -140.18 -172.58 3.45 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.049 -0.407 . . . . 50.0 110.39 -175.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mm -94.82 111.12 24.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 121.653 -0.654 . . . . 50.0 111.295 -170.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 m -90.0 111.82 23.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -74.37 170.63 15.25 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.792 -1.188 . . . . 50.0 107.792 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.68 -30.23 65.3 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 112.38 0.511 . . . . 50.0 112.38 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -68.88 -38.92 80.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.255 0.55 . . . . 50.0 111.061 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -68.41 -37.8 80.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.011 -0.737 . . . . 50.0 109.011 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.13 -34.37 78.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.56 -0.745 . . . . 50.0 112.421 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.11 -23.52 55.21 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.197 0.814 . . . . 50.0 113.197 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.1 -27.0 68.62 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 122.037 -0.415 . . . . 50.0 112.038 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -74.4 -19.09 60.55 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.063 -0.398 . . . . 50.0 110.728 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.3 m -83.47 73.93 10.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.507 0.67 . . . . 50.0 109.347 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 . . . . . 0 N--CA 1.481 1.096 0 C-N-CA 125.769 1.628 . . . . 50.0 114.81 179.49 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.1 t80 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.933 -0.556 . . . . 25.0 109.707 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 68.4 t -124.31 127.59 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 107.056 -1.461 . . . . 25.0 107.056 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -69.13 130.25 42.17 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 109.891 -0.411 . . . . 50.0 109.891 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.7 151.66 20.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.894 -2.261 . . . . 50.0 104.894 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.492 ' HD1' ' C ' ' A' ' 9' ' ' SER . 63.1 m-70 -69.13 144.75 53.79 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 106.645 -1.613 . . . . 50.0 106.645 170.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -127.11 105.82 8.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.078 0.466 . . . . 50.0 110.832 -173.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -138.02 160.0 40.54 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.53 -139.25 48.36 Favored Glycine 0 CA--C 1.516 0.111 0 C-N-CA 120.737 -0.744 . . . . 25.0 111.655 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -30.49 68.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -62.83 -33.3 74.95 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.839 -0.538 . . . . 50.0 111.216 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.98 -48.03 72.6 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.72 -0.392 . . . . 50.0 110.802 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.13 -29.42 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.174 -0.61 . . . . 25.0 111.169 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -64.07 -39.93 95.16 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.764 -0.458 . . . . 50.0 109.764 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.22 82.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.083 -0.34 . . . . 25.0 110.083 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.91 -31.41 72.63 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.508 0.558 . . . . 50.0 112.508 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -61.01 -37.66 83.33 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.173 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.85 -43.3 65.73 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.304 0.483 . . . . 50.0 112.304 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.6 t -73.09 -42.67 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 121.116 0.484 . . . . 50.0 111.505 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.71 -20.9 35.17 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.175 -0.61 . . . . 50.0 110.51 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.72 -156.71 52.47 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.483 -0.865 . . . . 25.0 111.849 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.58 -6.35 10.75 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.734 1.013 . . . . 50.0 113.734 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -69.46 -23.93 63.73 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.972 -0.455 . . . . 50.0 110.41 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.19 172.53 44.7 Favored Glycine 0 C--O 1.225 -0.457 0 N-CA-C 111.599 -0.601 . . . . 50.0 111.599 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -158.27 175.87 13.19 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.281 -2.489 . . . . 25.0 104.281 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -131.41 162.68 29.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.3 t80 . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 105.95 -1.87 . . . . 25.0 105.95 177.445 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.221 -0.424 0 N-CA-C 111.637 0.236 . . . . 50.0 111.637 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -65.23 -40.78 94.51 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 121.368 -0.832 . . . . 25.0 111.061 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.36 -41.29 93.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.175 0.512 . . . . 50.0 110.067 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 m -75.29 -29.58 60.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.564 0.579 . . . . 50.0 112.564 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -72.67 -50.13 26.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.874 0.369 . . . . 50.0 110.584 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -87.98 -24.15 23.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.58 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 51.1 m -132.89 179.07 6.4 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 122.087 -0.383 . . . . 50.0 110.906 -177.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -70.04 117.45 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.778 0.799 . . . . 50.0 111.396 -167.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 t -92.42 83.23 4.95 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.6 p -71.41 168.82 16.64 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.949 -0.76 . . . . 50.0 108.949 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -58.13 -29.58 65.65 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 122.188 -0.32 . . . . 50.0 111.776 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.52 -38.2 77.44 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 121.36 0.6 . . . . 50.0 110.942 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.34 -39.37 81.92 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 109.017 -0.735 . . . . 50.0 109.017 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.55 -36.86 85.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.945 -0.57 . . . . 50.0 111.673 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.25 -26.37 66.4 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.378 0.51 . . . . 50.0 112.378 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -67.42 -26.97 66.68 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.099 0.407 . . . . 50.0 112.099 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -76.48 -15.99 59.77 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.419 0.628 . . . . 50.0 109.78 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.83 114.5 21.68 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.378 -0.601 . . . . 50.0 109.378 -175.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 115.057 1.503 . . . . 50.0 115.057 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 81.9 t80 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 119.199 -0.429 . . . . 25.0 109.944 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.8 t -116.67 118.15 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -66.17 135.45 54.55 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 120.97 0.414 . . . . 50.0 110.495 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -160.3 159.09 30.88 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 104.608 -2.367 . . . . 50.0 104.608 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.58 ' HD1' ' C ' ' A' ' 9' ' ' SER . 62.7 m-70 -68.39 140.79 55.85 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 105.578 -2.008 . . . . 50.0 105.578 168.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -133.27 119.45 19.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.969 0.414 . . . . 50.0 110.23 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -142.53 156.68 45.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.832 -0.803 . . . . 50.0 108.832 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.81 -143.11 48.39 Favored Glycine 0 CA--C 1.516 0.104 0 C-N-CA 120.655 -0.783 . . . . 25.0 111.884 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -28.13 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.404 0.891 . . . . 25.0 113.404 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -36.27 78.09 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.192 -0.317 . . . . 50.0 110.871 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.5 tp -66.21 -44.17 84.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.678 -0.489 . . . . 50.0 109.678 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.74 -42.15 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.859 -0.61 . . . . 25.0 110.709 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -63.35 -34.27 77.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.98 0.419 . . . . 50.0 111.136 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.8 61.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.532 -0.304 . . . . 25.0 110.653 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 mt -65.27 -31.11 72.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.743 0.275 . . . . 50.0 111.743 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -61.62 -35.33 77.58 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.741 -0.384 . . . . 25.0 110.567 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -71.87 -42.57 66.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.141 0.496 . . . . 50.0 112.275 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -78.51 -41.53 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 50.0 111.254 -172.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.2 m -80.57 -20.22 43.85 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.767 -0.373 . . . . 50.0 110.394 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.48 -144.85 47.5 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.138 -1.029 . . . . 25.0 111.06 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -64.68 -18.3 64.86 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.715 1.376 . . . . 50.0 114.715 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -70.53 -17.59 62.94 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.239 0.829 . . . . 50.0 113.239 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.59 178.96 50.72 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.97 -0.633 . . . . 50.0 113.153 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -163.56 179.1 7.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -136.63 168.56 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.416 -1.327 . . . . 50.0 107.416 173.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.0 t80 . . . . . 0 C--N 1.322 -0.621 0 N-CA-C 105.189 -2.152 . . . . 25.0 105.189 177.76 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--O 1.216 -0.672 0 CA-C-O 121.281 0.562 . . . . 50.0 109.894 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -61.81 -43.66 98.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.044 -0.526 . . . . 25.0 109.782 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -67.42 -38.14 84.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.293 -0.412 . . . . 50.0 110.724 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.1 m -73.04 -22.11 60.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.856 0.688 . . . . 50.0 112.856 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.32 -46.17 12.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.428 -0.351 . . . . 50.0 111.147 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -82.26 -23.58 35.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.536 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 8.2 t -137.7 -178.41 5.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.871 -0.518 . . . . 50.0 109.864 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -75.44 120.96 26.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.731 0.777 . . . . 50.0 111.073 -168.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.74 77.46 8.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.318 -0.856 . . . . 25.0 109.272 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.8 m -64.3 159.69 20.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.885 -0.598 . . . . 50.0 109.817 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -53.42 -29.04 33.07 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.829 1.048 . . . . 50.0 113.829 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.03 -38.0 89.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.364 0.602 . . . . 50.0 111.564 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -74.53 -38.9 62.65 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.306 -0.627 . . . . 50.0 109.306 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.7 mt -59.9 -36.88 77.9 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.828 -0.624 . . . . 50.0 111.994 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -56.92 -31.85 65.35 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.699 0.629 . . . . 50.0 112.699 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.54 -26.94 67.37 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.015 0.746 . . . . 50.0 113.015 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -69.4 -21.87 63.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.232 0.539 . . . . 50.0 110.24 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 m -88.06 133.02 34.07 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.85 -1.167 . . . . 50.0 107.85 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 t30 . . . . . 0 N--CA 1.482 1.156 0 C-N-CA 125.287 1.435 . . . . 50.0 114.377 -176.169 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.3 t -123.56 133.49 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 106.623 -1.621 . . . . 25.0 106.623 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -74.46 132.58 42.04 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.886 -0.726 . . . . 50.0 110.637 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -160.23 147.91 16.43 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.937 -1.875 . . . . 50.0 105.937 170.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.536 ' HD1' ' C ' ' A' ' 9' ' ' SER . 67.0 m-70 -68.91 145.17 53.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.989 -1.856 . . . . 50.0 105.989 168.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.6 mt -133.22 125.47 29.45 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.089 0.774 . . . . 50.0 113.089 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -136.75 160.3 39.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.995 -0.743 . . . . 50.0 108.995 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.82 -134.44 43.56 Favored Glycine 0 C--O 1.227 -0.284 0 N-CA-C 114.606 0.602 . . . . 25.0 114.606 172.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -60.47 -31.91 70.9 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -63.9 -36.97 85.7 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.868 -0.52 . . . . 50.0 110.652 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.27 -42.5 83.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.441 -0.577 . . . . 50.0 109.441 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.8 -41.64 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.13 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -63.06 -33.01 74.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.003 0.43 . . . . 50.0 111.018 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.34 -34.09 63.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.737 0.303 . . . . 25.0 110.97 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.7 mt -64.71 -33.31 75.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.67 0.248 . . . . 50.0 111.67 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -57.65 -39.97 78.23 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 120.856 0.36 . . . . 25.0 110.481 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.02 -45.13 62.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.189 0.811 . . . . 50.0 113.189 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -72.18 -42.94 66.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.055 -0.521 . . . . 50.0 111.493 -171.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.9 m -95.2 -11.42 28.1 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.132 -0.627 . . . . 50.0 111.478 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.84 -147.1 44.15 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.413 -0.899 . . . . 25.0 113.968 174.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -67.38 -6.47 19.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.814 1.042 . . . . 50.0 113.814 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -72.97 -19.42 61.23 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 122.23 -0.294 . . . . 50.0 110.32 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.74 174.08 50.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.111 -0.566 . . . . 50.0 112.66 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -165.53 176.89 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.404 -2.073 . . . . 25.0 105.404 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -134.49 167.58 20.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.252 -1.018 . . . . 50.0 108.252 172.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.9 t80 . . . . . 0 C--N 1.321 -0.661 0 N-CA-C 105.761 -1.94 . . . . 25.0 105.761 177.824 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.221 -0.439 0 N-CA-C 110.77 -0.085 . . . . 50.0 110.77 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -67.03 -45.53 77.19 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.407 -0.808 . . . . 25.0 110.201 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -57.95 -42.31 84.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.19 -0.3 . . . . 50.0 110.19 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 t -77.24 -29.16 53.95 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.893 0.701 . . . . 50.0 112.893 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.84 -45.22 21.26 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.419 -0.512 . . . . 50.0 111.855 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -88.0 -22.86 24.03 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.508 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 49.7 m -136.28 175.39 9.65 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 110.151 -0.315 . . . . 50.0 110.151 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mm -76.75 125.92 36.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 O-C-N 121.705 -0.622 . . . . 50.0 109.784 -171.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -104.48 108.13 19.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 172.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 p -73.19 173.06 9.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.035 -1.468 . . . . 50.0 107.035 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.75 -31.61 64.76 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 111.862 0.319 . . . . 50.0 111.862 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -66.81 -38.83 87.23 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.942 -0.474 . . . . 50.0 111.375 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -66.54 -39.59 88.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.706 -0.85 . . . . 50.0 108.706 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.77 -36.49 83.7 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.477 -0.783 . . . . 50.0 112.535 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -55.14 -27.56 46.3 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.396 0.888 . . . . 50.0 113.396 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -63.18 -26.81 68.98 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.582 0.586 . . . . 50.0 112.582 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -74.28 -2.71 26.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.431 0.292 . . . . 50.0 110.935 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 m -115.52 146.97 41.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.388 0.613 . . . . 50.0 110.418 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.7 t30 . . . . . 0 C--O 1.207 -1.158 0 CA-C-O 124.63 2.157 . . . . 50.0 113.299 -179.264 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 119.251 -0.404 . . . . 25.0 109.945 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t -97.7 112.28 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.732 -1.211 . . . . 25.0 107.732 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -68.74 131.92 45.96 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 121.175 0.512 . . . . 50.0 110.656 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -160.14 158.45 30.22 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 103.926 -2.62 . . . . 50.0 103.926 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.508 ' HD1' ' C ' ' A' ' 9' ' ' SER . 54.6 m-70 -75.92 149.6 37.69 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 105.752 -1.944 . . . . 50.0 105.752 166.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.53 129.89 48.18 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.652 0.66 . . . . 50.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 98.1 m -140.16 159.99 40.94 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.226 -0.657 . . . . 50.0 109.226 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.2 -140.53 46.55 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 121.113 -0.565 . . . . 25.0 113.306 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -30.88 68.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -62.78 -31.82 72.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.046 -0.409 . . . . 50.0 111.115 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.9 -48.03 64.35 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.128 -0.229 . . . . 50.0 110.969 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.32 -29.27 38.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 119.68 -0.808 . . . . 25.0 110.721 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -62.81 -40.91 98.83 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.898 -0.501 . . . . 50.0 110.21 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.75 87.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.894 0.378 . . . . 25.0 110.251 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.55 -34.62 78.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.143 0.423 . . . . 50.0 112.143 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -61.61 -36.37 80.53 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.84 -48.09 48.5 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.212 0.819 . . . . 50.0 113.212 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.02 -41.82 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.189 0.518 . . . . 50.0 111.074 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.3 m -101.85 -8.51 21.56 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.174 0.805 . . . . 50.0 113.174 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.36 -141.57 41.09 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.024 -1.084 . . . . 25.0 114.038 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.48 -9.19 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 115.604 1.705 . . . . 50.0 115.604 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -75.32 -12.31 60.24 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.179 0.899 . . . . 50.0 111.781 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.24 177.43 51.7 Favored Glycine 0 C--O 1.237 0.292 0 C-N-CA 121.144 -0.55 . . . . 50.0 112.325 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -163.03 177.32 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -130.18 166.02 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.42 -1.696 . . . . 50.0 106.42 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.6 t80 . . . . . 0 C--N 1.323 -0.565 0 O-C-N 121.891 -0.506 . . . . 25.0 110.226 -177.789 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.223 -0.316 0 CA-C-O 120.321 0.105 . . . . 50.0 111.277 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -68.19 -37.51 81.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.714 -0.616 . . . . 25.0 110.274 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -62.28 -42.23 99.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.231 -0.44 . . . . 50.0 110.759 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.61 -22.41 47.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.139 0.422 . . . . 50.0 112.139 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.5 t -74.18 -49.97 21.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.743 0.306 . . . . 50.0 110.704 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -88.12 -21.65 24.54 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.305 0.854 . . . . 25.0 113.305 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.548 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 51.8 m -134.96 -173.86 3.43 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.786 -0.82 . . . . 50.0 108.786 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mt -106.9 107.25 22.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.309 0.576 . . . . 50.0 111.659 -169.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.1 m -80.84 119.51 23.5 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 173.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 p -73.57 168.7 18.78 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.837 -1.542 . . . . 50.0 106.837 174.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.32 -32.38 64.59 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 111.983 0.364 . . . . 50.0 111.983 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -64.33 -37.75 88.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.479 0.656 . . . . 50.0 111.618 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -72.89 -37.41 67.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.12 -0.491 . . . . 50.0 110.012 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.44 -32.23 73.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.981 -0.554 . . . . 50.0 112.005 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.94 -25.68 31.15 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.067 0.765 . . . . 50.0 113.067 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -61.16 -30.03 70.15 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.911 0.708 . . . . 50.0 112.911 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -66.41 -17.13 64.61 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.137 0.494 . . . . 50.0 110.934 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 p -137.46 44.0 2.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.317 1.056 . . . . 50.0 108.698 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.0 t30 . . . . . 0 C--O 1.209 -1.058 0 CA-C-O 123.787 1.756 . . . . 50.0 112.552 -179.172 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.3 t80 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.885 -0.578 . . . . 25.0 109.822 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.8 t -120.43 125.07 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.64 130.15 41.03 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 120.845 0.355 . . . . 50.0 110.738 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -159.92 150.36 18.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 105.325 -2.102 . . . . 50.0 105.325 175.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.548 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.5 m-70 -66.97 142.13 57.36 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 106.259 -1.756 . . . . 50.0 106.259 169.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -125.44 105.45 9.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.265 0.555 . . . . 50.0 110.677 -174.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -138.86 157.8 45.38 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.943 -1.132 . . . . 50.0 107.943 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.03 -143.52 48.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.53 -0.843 . . . . 25.0 111.116 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -28.61 67.23 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.36 -37.04 79.44 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.978 -0.452 . . . . 50.0 111.219 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.89 -43.71 87.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 50.0 109.938 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.32 -43.56 94.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.456 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -63.56 -36.22 83.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 50.0 110.735 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.71 76.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.876 0.369 . . . . 25.0 110.191 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.06 -30.46 71.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.773 0.657 . . . . 50.0 112.773 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -60.36 -38.74 84.79 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.316 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.81 -44.59 63.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.439 0.533 . . . . 50.0 112.439 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.48 -40.69 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.046 -0.525 . . . . 50.0 111.616 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -82.68 -15.83 50.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.521 -0.309 . . . . 50.0 110.764 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.16 -157.95 52.3 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-O 121.9 0.722 . . . . 25.0 112.115 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -67.45 -6.3 18.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.667 0.988 . . . . 50.0 113.667 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -67.11 -26.16 66.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.722 0.296 . . . . 50.0 111.116 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.63 -177.24 53.48 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.542 -1.023 . . . . 50.0 110.542 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -162.77 -179.55 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.836 -1.913 . . . . 25.0 105.836 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -133.23 167.64 20.0 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.992 -1.114 . . . . 50.0 107.992 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.8 t80 . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 106.746 -1.576 . . . . 25.0 106.746 177.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t . . . . . 0 C--O 1.215 -0.746 0 N-CA-C 109.662 -0.496 . . . . 50.0 109.662 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -68.33 -39.43 81.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.196 -0.315 . . . . 25.0 110.513 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -58.21 -37.91 75.76 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.059 0.224 . . . . 50.0 111.549 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.8 m -86.51 -29.59 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.682 0.623 . . . . 50.0 112.682 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -79.34 -55.6 4.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 -174.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -88.07 -20.39 25.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.049 0.452 . . . . 25.0 111.484 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.523 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 50.4 m -133.55 -164.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.543 -1.28 . . . . 50.0 107.543 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mt -119.23 115.16 46.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.994 -0.743 . . . . 50.0 108.994 -174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -94.54 154.06 17.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.8 p -85.24 167.33 15.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.8 0.333 . . . . 50.0 110.501 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.53 -28.0 68.07 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.089 0.403 . . . . 50.0 112.089 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -67.2 -37.96 84.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 50.0 109.791 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -70.25 -38.41 75.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.355 -0.609 . . . . 50.0 109.355 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.2 mt -60.09 -35.96 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.492 0.553 . . . . 50.0 112.492 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.02 -26.7 60.71 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.238 0.829 . . . . 50.0 113.238 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -63.86 -27.06 68.9 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.886 0.698 . . . . 50.0 112.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -65.89 -27.86 68.52 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.036 0.446 . . . . 50.0 109.848 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.0 m -87.1 51.28 2.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.27 1.033 . . . . 50.0 109.947 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 124.791 2.234 . . . . 50.0 112.372 -177.511 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 119.008 -0.52 . . . . 25.0 109.838 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.6 t -107.47 119.76 57.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -74.34 129.43 37.78 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 120.421 -0.512 . . . . 50.0 110.912 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -159.67 155.52 26.24 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 103.279 -2.86 . . . . 50.0 103.279 172.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 76.8 m-70 -68.16 138.12 55.42 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 106.82 -1.548 . . . . 50.0 106.82 170.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 67.2 mt -126.35 105.3 8.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.289 0.566 . . . . 50.0 111.281 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -139.21 157.22 46.31 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.779 -0.823 . . . . 50.0 108.779 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.43 -137.94 47.26 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.571 -0.823 . . . . 25.0 112.128 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.6 p -61.21 -28.55 69.23 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -64.2 -37.18 86.54 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.672 -0.642 . . . . 50.0 110.537 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.87 -40.04 87.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.736 -0.468 . . . . 50.0 109.736 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.38 -42.95 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.033 0.444 . . . . 25.0 110.453 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -65.54 -31.77 73.0 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.892 -0.505 . . . . 50.0 111.36 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.39 75.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.957 -0.465 . . . . 25.0 109.943 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.2 -32.6 74.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.088 0.403 . . . . 50.0 112.088 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -56.51 -43.53 79.83 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 120.958 0.409 . . . . 25.0 110.132 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.87 -44.23 64.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.229 0.826 . . . . 50.0 113.229 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 82.8 t -72.28 -43.32 65.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.309 -0.405 . . . . 50.0 111.73 -172.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -91.62 -12.87 33.01 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.22 -0.592 . . . . 50.0 110.762 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.69 -147.41 49.94 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-O 122.246 0.915 . . . . 25.0 114.429 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.19 -6.33 17.51 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.626 0.973 . . . . 50.0 113.626 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -71.01 -21.95 62.22 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.848 0.356 . . . . 50.0 110.557 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.69 175.92 51.14 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.276 -1.129 . . . . 50.0 110.276 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -167.46 177.12 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -137.28 165.38 26.3 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.344 -1.724 . . . . 50.0 106.344 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--N 1.323 -0.584 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 178.348 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 109.134 -0.691 . . . . 50.0 109.134 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -64.77 -42.91 94.74 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 122.056 -0.402 . . . . 25.0 110.021 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -58.79 -45.05 90.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.719 0.295 . . . . 50.0 111.048 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.2 m -74.65 -25.14 59.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.872 0.323 . . . . 50.0 111.872 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.3 t -83.41 -45.61 13.48 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.926 0.343 . . . . 50.0 111.926 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -81.04 -24.19 38.05 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.08 -0.387 . . . . 25.0 111.939 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.5 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 60.2 m -143.41 -177.68 5.5 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.765 -0.585 . . . . 50.0 109.962 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.7 mm -86.3 134.21 27.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 107.875 -1.157 . . . . 50.0 107.875 -174.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 p -124.0 141.03 52.4 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 173.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.4 p -89.41 173.88 8.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.337 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.67 -28.59 65.88 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 112.273 0.472 . . . . 50.0 112.273 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -69.71 -35.51 75.11 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.372 0.606 . . . . 50.0 110.729 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -72.72 -33.49 66.46 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.757 -0.831 . . . . 50.0 108.757 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.92 -35.12 80.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.783 -0.644 . . . . 50.0 112.606 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.22 -25.24 46.65 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.788 0.662 . . . . 50.0 112.788 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -61.24 -26.8 67.99 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.171 0.804 . . . . 50.0 113.171 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -73.31 1.77 8.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.736 0.414 . . . . 50.0 111.494 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -116.79 147.07 42.41 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.967 -1.123 . . . . 50.0 107.967 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 124.382 2.039 . . . . 50.0 111.285 178.602 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 t80 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 118.939 -0.553 . . . . 25.0 109.684 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -114.03 127.84 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -75.98 126.69 31.48 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 120.636 -0.425 . . . . 50.0 110.303 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -160.03 148.04 16.84 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 105.647 -1.983 . . . . 50.0 105.647 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.5 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.9 m-70 -69.61 144.6 52.95 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.834 -1.173 . . . . 50.0 107.834 170.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 mt -129.35 105.26 8.0 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 122.833 0.453 . . . . 50.0 109.918 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 62.5 m -110.14 -71.89 0.74 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.682 0.993 . . . . 50.0 113.682 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.08 -117.13 2.02 Favored Glycine 0 C--O 1.225 -0.433 0 CA-C-N 116.193 -0.458 . . . . 25.0 113.258 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.0 p -56.69 -31.89 64.9 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -58.04 -38.07 75.56 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.029 0.381 . . . . 50.0 112.029 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 29.2 tp -68.77 -41.96 78.12 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 109.532 -0.544 . . . . 50.0 109.532 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.55 -44.64 96.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.195 0.521 . . . . 25.0 110.425 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.02 -34.27 77.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 50.0 110.833 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.18 76.07 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.58 -32.37 73.66 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.536 0.569 . . . . 50.0 112.536 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -59.05 -37.94 78.2 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 110.207 -0.294 . . . . 25.0 110.207 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.94 -46.01 59.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.575 0.583 . . . . 50.0 112.575 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.0 -44.06 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.918 -171.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.49 -9.89 39.77 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.05 -0.66 . . . . 50.0 111.41 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.99 -145.73 45.8 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.103 -1.046 . . . . 25.0 113.073 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -70.73 -8.15 50.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 115.279 1.585 . . . . 50.0 115.279 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -74.71 -15.1 60.8 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.094 0.861 . . . . 50.0 112.116 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.21 173.54 48.57 Favored Glycine 0 C--O 1.228 -0.229 0 C-N-CA 121.118 -0.563 . . . . 50.0 111.714 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -164.46 178.67 7.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -129.05 160.26 33.34 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.0 t80 . . . . . 0 C--N 1.321 -0.65 0 N-CA-C 105.723 -1.954 . . . . 25.0 105.723 178.266 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 112.342 0.497 . . . . 50.0 112.342 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.13 -33.12 72.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -177.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.97 -25.91 67.9 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 112.745 0.646 . . . . 50.0 112.745 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.9 m -110.31 2.87 19.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.935 0.398 . . . . 50.0 111.593 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -109.27 -51.28 2.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.413 0.523 . . . . 50.0 112.413 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -78.32 -20.96 50.33 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.292 0.568 . . . . 25.0 110.379 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -143.05 165.95 25.97 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 102.031 -3.322 . . . . 50.0 102.031 174.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.63 157.9 3.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 107.706 -1.22 . . . . 50.0 107.706 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -131.61 157.74 42.87 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 104.584 -2.376 . . . . 25.0 104.584 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.8 p -84.46 169.49 14.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.882 0.372 . . . . 50.0 110.759 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.48 -27.84 67.88 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 121.105 0.479 . . . . 50.0 111.341 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -68.47 -34.87 76.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.535 0.683 . . . . 50.0 110.048 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -73.26 -35.43 66.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.745 -0.661 . . . . 50.0 110.056 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.54 -32.09 72.98 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.032 -0.531 . . . . 50.0 111.492 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.17 -23.66 49.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.529 0.937 . . . . 50.0 113.529 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -66.3 -29.41 69.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.301 0.572 . . . . 50.0 111.839 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -74.45 -20.19 60.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.222 -0.659 . . . . 50.0 109.222 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.483 ' C ' ' HXT' ' A' ' 21' ' ' ASN . 12.8 m -80.54 48.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.349 0.87 . . . . 50.0 113.349 -175.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.483 ' HXT' ' C ' ' A' ' 20' ' ' CYS . 24.8 t30 . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 123.772 1.749 . . . . 50.0 114.649 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.3 t80 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 119.095 -0.479 . . . . 25.0 109.744 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.3 t -126.19 127.19 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -73.36 129.01 37.1 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -158.04 147.58 19.78 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 104.711 -2.329 . . . . 50.0 104.711 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -63.77 111.45 2.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.21 -0.45 . . . . 50.0 110.589 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.1 mt -125.3 138.91 54.08 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 107.409 -1.33 . . . . 50.0 107.409 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -153.31 163.02 40.66 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.965 -1.494 . . . . 50.0 106.965 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.98 -140.6 44.01 Favored Glycine 0 N--CA 1.453 -0.188 0 N-CA-C 110.757 -0.937 . . . . 25.0 110.757 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.3 p -58.42 -29.87 66.44 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.448 0.536 . . . . 25.0 112.448 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -70.65 -28.31 64.71 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.519 -0.738 . . . . 50.0 112.456 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 tp -73.61 -37.69 65.32 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 108.476 -0.935 . . . . 50.0 108.476 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.2 t -61.26 -39.26 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.206 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.47 -34.87 78.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.013 -0.429 . . . . 50.0 110.815 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -37.41 66.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.423 . . . . 25.0 109.916 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.49 -34.87 78.72 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.294 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -57.97 -38.91 76.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.329 0.513 . . . . 25.0 111.088 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -71.79 -43.67 65.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.862 0.689 . . . . 50.0 112.862 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -76.45 -37.98 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.454 0.645 . . . . 50.0 110.899 -173.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 55.9 m -82.87 -22.01 34.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.118 -0.492 . . . . 50.0 111.386 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.54 -145.43 49.69 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.175 -1.17 . . . . 25.0 110.175 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mp0 -71.87 -9.96 59.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 115.004 1.483 . . . . 50.0 115.004 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -73.56 -16.04 61.27 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.938 1.088 . . . . 50.0 113.938 -174.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.44 176.16 51.27 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.824 -0.703 . . . . 50.0 112.523 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -165.39 -177.58 4.55 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -129.16 161.87 29.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.74 -0.467 . . . . 50.0 109.74 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.769 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.2 t . . . . . 0 C--O 1.219 -0.526 0 N-CA-C 109.83 -0.433 . . . . 50.0 109.83 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.32 -38.11 89.86 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -58.79 -42.57 89.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.984 -0.553 . . . . 50.0 111.274 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -78.9 -25.47 43.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.56 0.578 . . . . 50.0 112.56 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.04 -50.29 10.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.464 0.913 . . . . 50.0 113.464 -176.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -87.24 -23.76 24.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.976 0.417 . . . . 25.0 111.109 -173.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.505 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.8 m -135.67 -179.25 5.53 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.948 -0.39 . . . . 50.0 109.948 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mm -87.9 131.75 34.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.479 -1.304 . . . . 50.0 107.479 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -117.92 136.23 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 172.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p -82.85 173.2 12.05 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.008 -0.367 . . . . 50.0 110.008 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -59.37 -29.37 67.65 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 111.726 0.269 . . . . 50.0 111.726 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -68.21 -35.03 77.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.725 0.774 . . . . 50.0 110.552 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -73.45 -33.67 65.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.072 -0.714 . . . . 50.0 109.072 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.04 -33.13 74.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.099 -0.5 . . . . 50.0 112.029 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.53 -29.21 64.16 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.071 -0.393 . . . . 50.0 111.706 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.58 -26.89 68.25 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -67.63 -24.51 65.47 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 122.3 -0.25 . . . . 50.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.84 36.89 3.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.245 1.022 . . . . 50.0 110.308 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 t30 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 123.524 1.631 . . . . 50.0 114.975 -177.164 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 t80 . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.62 117.58 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.24 129.14 38.95 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 110.068 -0.345 . . . . 50.0 110.068 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -160.01 150.52 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 105.355 -2.091 . . . . 50.0 105.355 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.8 m-70 -69.87 144.24 52.58 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.507 -1.664 . . . . 50.0 106.507 168.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.1 mt -129.2 112.82 14.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.515 0.561 . . . . 50.0 112.515 -172.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 70.7 m -131.8 156.69 45.56 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.484 -0.562 . . . . 50.0 109.484 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.71 -137.11 43.7 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 121.272 -0.489 . . . . 25.0 113.51 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -27.98 66.06 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 113.665 0.987 . . . . 25.0 113.665 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -39.91 95.0 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.603 -0.686 . . . . 50.0 109.893 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 tp -66.99 -41.47 86.69 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.66 -0.496 . . . . 50.0 109.66 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.93 -43.33 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.659 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.95 -32.7 74.35 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.856 -0.528 . . . . 50.0 111.402 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.65 78.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.09 -0.707 . . . . 25.0 109.09 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.1 -33.45 76.07 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.14 0.422 . . . . 50.0 112.14 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -55.06 -44.57 74.87 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.031 0.443 . . . . 25.0 110.378 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.95 -43.58 65.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.433 0.901 . . . . 50.0 113.433 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.0 t -74.58 -40.63 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.259 0.552 . . . . 50.0 111.546 -173.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.5 m -81.78 -22.52 37.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.619 -0.511 . . . . 50.0 109.619 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.29 -150.98 52.1 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-O 121.861 0.701 . . . . 25.0 113.484 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.23 -8.1 22.48 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.866 1.061 . . . . 50.0 113.866 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -70.41 -23.02 62.68 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.304 -0.247 . . . . 50.0 110.899 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.61 177.34 51.71 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 109.916 -1.274 . . . . 50.0 109.916 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -165.58 177.28 7.48 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -134.57 166.17 23.51 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.665 -1.606 . . . . 50.0 106.665 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.0 t80 . . . . . 0 C--N 1.32 -0.715 0 N-CA-C 107.032 -1.47 . . . . 25.0 107.032 177.589 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.218 -0.581 0 CA-C-O 120.616 0.246 . . . . 50.0 110.937 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -62.28 -42.83 99.68 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.82 -38.5 91.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 50.0 111.136 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.3 m -74.37 -30.9 62.19 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.543 -0.463 . . . . 50.0 111.646 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.9 m -70.05 -47.96 59.87 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.041 -0.263 . . . . 50.0 110.864 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -88.0 -24.78 23.42 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.776 1.028 . . . . 25.0 113.776 -174.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.493 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 7.6 t -138.34 -170.24 2.77 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.828 -0.545 . . . . 50.0 110.456 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.8 mm -92.65 124.14 44.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 121.72 -0.613 . . . . 50.0 111.408 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 m -104.07 119.79 39.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.9 p -76.39 170.41 16.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.26 -1.385 . . . . 50.0 107.26 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.38 -29.24 65.87 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 111.719 0.266 . . . . 50.0 111.719 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -70.16 -39.28 75.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.114 0.483 . . . . 50.0 111.05 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.08 -36.88 80.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.787 -0.82 . . . . 50.0 108.787 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.18 -33.27 74.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.59 -0.732 . . . . 50.0 112.278 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.64 -24.99 62.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.753 0.649 . . . . 50.0 112.753 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -60.6 -26.91 67.34 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.376 0.51 . . . . 50.0 112.376 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -70.93 -21.74 62.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.322 -0.236 . . . . 50.0 111.346 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.4 m -83.12 67.35 9.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.774 0.797 . . . . 50.0 110.37 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--O 1.212 -0.905 0 CA-C-O 125.023 2.344 . . . . 50.0 111.87 178.679 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.7 t80 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.773 -0.632 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.8 t -124.17 130.45 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -66.96 128.71 37.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.907 0.384 . . . . 50.0 110.729 177.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -159.16 149.08 19.01 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 105.998 -1.853 . . . . 50.0 105.998 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.493 ' HD1' ' C ' ' A' ' 9' ' ' SER . 64.0 m-70 -67.67 144.83 55.3 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.796 -1.557 . . . . 50.0 106.796 170.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -135.78 117.75 15.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.641 0.258 . . . . 50.0 110.766 -175.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -143.38 159.95 41.43 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.349 -0.611 . . . . 50.0 109.349 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -141.18 46.43 Favored Glycine 0 C--O 1.231 -0.071 0 C-N-CA 120.919 -0.658 . . . . 25.0 111.686 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -29.39 67.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -34.16 75.85 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.957 -0.464 . . . . 50.0 111.405 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.25 -43.73 85.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.519 -0.548 . . . . 50.0 109.519 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.75 -41.91 88.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.236 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.68 -36.11 79.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.168 0.509 . . . . 50.0 110.612 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.2 75.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.765 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.28 -30.73 71.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.282 0.475 . . . . 50.0 112.282 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -59.99 -41.7 92.6 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.1 mt -71.75 -41.22 68.7 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.367 0.506 . . . . 50.0 112.367 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.51 -44.15 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.016 -174.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -20.57 27.23 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.9 -0.72 . . . . 50.0 111.751 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.27 -140.68 46.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.615 -0.802 . . . . 25.0 112.379 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.94 -23.56 61.55 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.57 0.952 . . . . 50.0 113.57 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -63.74 -28.12 69.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.43 0.53 . . . . 50.0 112.43 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 -179.27 47.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.838 -0.696 . . . . 50.0 111.907 -177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -166.82 177.66 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 104.461 -2.422 . . . . 25.0 104.461 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -140.08 165.42 27.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.559 -1.645 . . . . 50.0 106.559 171.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 107.624 -1.251 . . . . 25.0 107.624 179.483 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.216 -0.705 0 N-CA-C 110.579 -0.156 . . . . 50.0 110.579 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -67.59 -43.26 80.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -61.11 -33.71 73.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.501 . . . . 50.0 111.392 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -83.13 -24.92 32.38 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.175 0.806 . . . . 50.0 113.175 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.5 -58.55 2.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.285 0.846 . . . . 50.0 113.285 -175.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -81.72 -18.29 44.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.223 0.535 . . . . 25.0 110.452 -173.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.558 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 39.7 m -138.98 -165.65 1.88 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.235 -1.394 . . . . 50.0 107.235 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.3 mt -116.23 112.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.587 -0.523 . . . . 50.0 109.587 -173.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -85.29 146.96 26.79 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -81.63 169.88 16.49 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.915 -0.402 . . . . 50.0 109.915 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.15 -29.52 69.83 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 122.276 -0.265 . . . . 50.0 111.13 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -67.24 -36.26 81.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.595 0.712 . . . . 50.0 110.288 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -71.24 -37.51 72.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.87 -0.605 . . . . 50.0 109.48 177.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.93 -35.82 77.72 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 111.874 0.324 . . . . 50.0 111.874 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -55.35 -25.1 32.96 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.069 0.766 . . . . 50.0 113.069 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -64.76 -26.84 68.53 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.602 0.593 . . . . 50.0 112.602 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -67.77 -10.98 57.38 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.855 -0.528 . . . . 50.0 110.594 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.1 m -103.5 22.55 14.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.345 0.593 . . . . 50.0 110.278 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 . . . . . 0 C--O 1.213 -0.844 0 CA-C-O 125.104 2.383 . . . . 50.0 111.59 -177.476 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 p -137.14 143.44 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 107.322 -1.362 . . . . 25.0 107.322 -178.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -77.38 134.0 38.56 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.716 0.77 . . . . 50.0 111.528 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -160.24 152.05 20.06 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 104.426 -2.435 . . . . 50.0 104.426 170.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.0 m-70 -67.3 143.53 56.37 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.235 -1.394 . . . . 50.0 107.235 169.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.4 mt -128.9 105.31 8.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.138 1.162 . . . . 50.0 114.138 -171.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 70.8 m -127.55 154.46 45.15 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.623 -0.51 . . . . 50.0 109.623 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -137.07 50.53 Favored Glycine 0 C--O 1.229 -0.166 0 C-N-CA 120.817 -0.706 . . . . 25.0 113.261 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -27.77 65.15 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -62.03 -40.72 96.69 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 121.877 -0.514 . . . . 50.0 110.396 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.19 -40.52 90.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.008 0.432 . . . . 50.0 109.902 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.67 -44.91 98.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.057 -0.52 . . . . 25.0 110.597 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.41 -31.53 72.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.785 -0.572 . . . . 50.0 111.347 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.44 80.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.82 -32.84 74.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.199 0.444 . . . . 50.0 112.199 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -58.14 -42.02 84.96 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 110.073 -0.343 . . . . 25.0 110.073 175.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.56 -42.01 68.36 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.187 0.81 . . . . 50.0 113.187 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -74.5 -41.33 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.998 0.428 . . . . 50.0 111.386 -174.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -17.73 33.45 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.033 -0.667 . . . . 50.0 111.345 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.5 -154.58 52.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.608 -0.806 . . . . 25.0 112.658 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -65.81 -6.39 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.532 1.308 . . . . 50.0 114.532 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -69.35 -23.12 63.72 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.316 -0.24 . . . . 50.0 111.349 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.51 178.23 52.28 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 109.567 -1.413 . . . . 50.0 109.567 -175.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -163.94 -179.45 6.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.911 -1.885 . . . . 25.0 105.911 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -136.49 169.02 18.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.009 -1.108 . . . . 50.0 108.009 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.6 t80 . . . . . 0 C--N 1.322 -0.629 0 N-CA-C 106.303 -1.739 . . . . 25.0 106.303 176.872 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.219 -0.503 0 N-CA-C 109.905 -0.405 . . . . 50.0 109.905 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -65.96 -42.21 90.21 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 122.068 -0.395 . . . . 25.0 110.195 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.73 -38.14 80.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.151 0.282 . . . . 50.0 110.955 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.3 m -81.3 -26.82 35.39 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.317 -0.553 . . . . 50.0 111.921 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 t -72.1 -54.09 10.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.188 0.518 . . . . 50.0 110.602 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -87.85 -18.56 28.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -174.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.483 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 23.9 p -142.49 -174.5 4.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.737 -0.468 . . . . 50.0 109.737 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -89.57 127.63 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 121.514 -0.741 . . . . 50.0 111.504 -168.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 m -109.89 119.12 38.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 168.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -76.15 169.24 18.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.741 -1.578 . . . . 50.0 106.741 175.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.57 -30.13 65.0 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 112.171 0.434 . . . . 50.0 112.171 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -67.44 -36.84 82.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.434 0.635 . . . . 50.0 111.382 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -72.01 -33.59 68.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.378 0.608 . . . . 50.0 109.845 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.97 -32.1 73.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.661 -0.699 . . . . 50.0 111.73 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -57.31 -19.4 22.0 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.132 0.79 . . . . 50.0 113.132 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -65.49 -26.99 68.17 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.676 -0.64 . . . . 50.0 112.194 176.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -73.85 -10.59 59.82 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.832 0.348 . . . . 50.0 111.585 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 131.21 42.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.184 -1.413 . . . . 50.0 107.184 178.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 114.609 1.337 . . . . 50.0 114.609 -178.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.93 -0.557 . . . . 25.0 109.781 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.42 141.34 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.541 -1.281 . . . . 25.0 107.541 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -69.13 136.09 51.69 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 120.911 0.386 . . . . 50.0 110.628 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -160.28 156.08 25.83 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.254 -2.498 . . . . 50.0 104.254 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.483 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.8 m-70 -67.99 141.95 56.1 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 106.124 -1.806 . . . . 50.0 106.124 169.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.3 mt -133.39 113.36 12.47 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.83 0.347 . . . . 50.0 110.906 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -141.64 154.76 45.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.016 -0.735 . . . . 50.0 109.016 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.51 -141.54 47.86 Favored Glycine 0 C--O 1.229 -0.163 0 C-N-CA 120.582 -0.818 . . . . 25.0 111.515 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -29.22 67.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -38.51 85.23 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 122.04 -0.413 . . . . 50.0 110.546 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 tp -67.19 -44.23 80.17 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 109.673 -0.492 . . . . 50.0 109.673 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.19 -43.8 98.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.009 0.433 . . . . 25.0 111.02 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -63.66 -35.02 79.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.165 0.507 . . . . 50.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.18 -38.83 69.0 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.17 -32.6 74.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.384 0.512 . . . . 50.0 112.384 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.55 -40.74 79.54 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 120.945 -0.302 . . . . 25.0 110.35 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.94 -43.85 64.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.03 0.752 . . . . 50.0 113.03 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.58 -42.66 71.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 50.0 111.308 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 m -86.18 -20.79 28.05 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.735 -0.386 . . . . 50.0 111.777 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.57 -129.9 20.96 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-O 122.205 0.892 . . . . 25.0 113.764 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -62.31 -21.53 65.33 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.066 1.506 . . . . 50.0 115.066 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -23.18 61.1 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.636 -0.665 . . . . 50.0 112.385 -177.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.25 172.72 37.84 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.984 -0.846 . . . . 50.0 110.984 -175.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -160.02 176.69 11.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -130.62 161.2 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.257 -1.016 . . . . 50.0 108.257 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.5 t80 . . . . . 0 C--N 1.321 -0.644 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 178.729 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.471 0.595 0 CA-C-O 121.068 0.461 . . . . 50.0 110.767 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.03 -44.31 89.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -38.22 88.72 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.234 -0.187 . . . . 50.0 111.367 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.5 m -73.79 -17.31 61.1 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.12 0.415 . . . . 50.0 112.12 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.59 -51.46 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.333 -0.394 . . . . 50.0 111.052 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -76.27 -23.5 54.43 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.211 -0.306 . . . . 25.0 111.761 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 49.4 m -136.13 -169.08 2.35 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 107.948 -1.13 . . . . 50.0 107.948 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mt -110.44 113.11 43.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.208 0.527 . . . . 50.0 111.714 -170.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 m -83.36 120.2 25.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 171.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.5 p -72.34 168.4 18.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.651 -1.611 . . . . 50.0 106.651 176.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -57.7 -30.01 65.16 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.963 -0.46 . . . . 50.0 111.577 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -67.11 -38.63 85.98 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 121.455 0.645 . . . . 50.0 111.127 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -70.64 -36.56 73.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.245 -0.65 . . . . 50.0 109.245 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.07 -32.09 73.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.186 -0.461 . . . . 50.0 112.022 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.93 -22.12 47.21 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.434 0.901 . . . . 50.0 113.434 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -62.08 -27.59 69.02 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.91 -0.494 . . . . 50.0 112.093 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -77.22 -16.24 59.14 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.198 0.444 . . . . 50.0 112.198 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.78 61.61 2.48 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.383 1.253 . . . . 50.0 114.383 -171.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.2 t30 . . . . . 0 C--O 1.208 -1.091 0 CA-C-O 124.348 2.023 . . . . 50.0 112.065 175.011 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.9 t80 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 119.008 -0.52 . . . . 25.0 109.668 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.2 143.64 34.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 106.59 -1.634 . . . . 25.0 106.59 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -72.88 137.16 45.48 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.112 -0.635 . . . . 50.0 110.507 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -160.3 147.03 15.79 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.362 -2.088 . . . . 50.0 105.362 171.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.3 m-70 -66.7 142.38 57.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.629 -1.619 . . . . 50.0 106.629 169.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -126.63 105.37 8.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.245 0.545 . . . . 50.0 111.869 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 45.1 m -118.57 148.66 42.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.034 -0.53 . . . . 50.0 110.347 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.06 -136.87 50.5 Favored Glycine 0 C--O 1.227 -0.286 0 C-N-CA 120.619 -0.8 . . . . 25.0 113.402 175.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -26.28 65.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.82 1.044 . . . . 25.0 113.82 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -38.52 84.38 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.664 -0.647 . . . . 50.0 109.622 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.29 -43.67 81.17 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.827 -0.435 . . . . 50.0 109.827 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.59 -44.1 96.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.733 0.302 . . . . 25.0 111.061 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -68.0 -29.73 68.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.942 -0.474 . . . . 50.0 111.548 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.61 70.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.14 -33.95 76.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.368 -0.378 . . . . 50.0 111.816 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.13 -39.46 78.79 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.616 -0.433 . . . . 25.0 110.302 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.82 -46.43 58.14 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.176 0.806 . . . . 50.0 113.176 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.09 -44.65 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.262 0.553 . . . . 50.0 110.877 -173.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.1 m -84.04 -17.81 39.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.364 -0.38 . . . . 50.0 111.192 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.67 -154.97 38.11 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.381 -0.914 . . . . 25.0 112.424 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.89 -6.59 22.57 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.537 1.31 . . . . 50.0 114.537 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -18.77 62.4 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.128 -0.357 . . . . 50.0 110.983 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.78 174.18 49.74 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.982 -0.627 . . . . 50.0 112.048 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -163.51 -179.45 6.48 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.798 -1.186 . . . . 25.0 107.798 -176.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -123.73 157.66 33.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.711 -0.848 . . . . 50.0 108.711 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 t80 . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 107.679 -1.23 . . . . 25.0 107.679 179.658 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 121.459 0.647 . . . . 50.0 111.567 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.56 -40.52 97.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.82 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -64.87 -39.46 93.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.821 0.304 . . . . 50.0 111.821 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.1 m -78.85 -18.87 53.28 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.543 -0.463 . . . . 50.0 111.596 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -79.03 -42.63 26.06 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.882 -0.414 . . . . 50.0 109.882 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -85.18 -25.11 27.6 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.476 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 47.9 m -138.55 176.91 8.28 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.376 -0.827 . . . . 50.0 112.142 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -82.01 125.06 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 121.74 -0.6 . . . . 50.0 111.177 -170.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -110.91 101.64 10.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.351 -0.981 . . . . 25.0 108.351 171.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -71.19 169.86 14.22 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.65 -32.88 44.29 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 113.084 0.772 . . . . 50.0 113.084 -177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -65.34 -38.94 91.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.542 0.687 . . . . 50.0 111.853 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -70.33 -38.81 74.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.009 -0.738 . . . . 50.0 109.009 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.69 -35.59 81.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.713 -0.676 . . . . 50.0 112.634 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -56.07 -26.43 49.4 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.937 0.717 . . . . 50.0 112.937 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -64.35 -26.67 68.57 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.164 0.802 . . . . 50.0 113.164 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -68.15 -21.25 64.92 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.283 0.563 . . . . 50.0 110.098 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.5 m -106.28 45.35 0.98 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.972 0.891 . . . . 50.0 109.673 -175.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 . . . . . 0 C--O 1.212 -0.887 0 CA-C-O 124.794 2.235 . . . . 50.0 111.858 -179.199 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.868 -0.587 . . . . 25.0 109.735 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 p -132.73 135.23 57.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 107.559 -1.274 . . . . 25.0 107.559 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -79.68 133.41 36.37 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 120.717 0.294 . . . . 50.0 110.505 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.11 154.64 23.9 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 104.841 -2.281 . . . . 50.0 104.841 174.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.476 ' HD1' ' C ' ' A' ' 9' ' ' SER . 68.7 m-70 -68.06 145.14 54.72 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 106.63 -1.619 . . . . 50.0 106.63 169.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 mt -132.79 116.01 16.02 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.64 0.257 . . . . 50.0 110.608 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 m -121.1 151.67 39.58 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.944 -0.391 . . . . 50.0 109.944 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.26 -134.94 41.11 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.076 -0.583 . . . . 25.0 114.099 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -59.43 -28.38 66.9 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 114.038 1.125 . . . . 25.0 114.038 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -62.48 -34.69 77.34 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.825 -0.547 . . . . 50.0 110.661 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.65 -43.44 80.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.698 -0.482 . . . . 50.0 109.698 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.62 -42.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.04 -0.527 . . . . 25.0 110.426 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -62.33 -36.25 81.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.007 0.432 . . . . 50.0 110.588 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.27 73.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.695 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.71 -32.64 74.2 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.054 0.39 . . . . 50.0 112.054 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -60.16 -41.07 92.01 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.916 0.388 . . . . 25.0 110.262 176.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.4 mt -71.7 -45.15 62.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.618 0.599 . . . . 50.0 112.618 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -72.62 -40.24 62.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.955 -0.566 . . . . 50.0 111.65 -172.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.0 m -94.88 -7.52 39.88 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.919 -177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.85 -155.97 51.94 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-O 122.592 1.107 . . . . 25.0 114.862 173.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -66.85 -6.3 15.76 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.905 1.076 . . . . 50.0 113.905 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -66.21 -27.77 68.23 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.781 0.324 . . . . 50.0 111.435 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.36 -179.57 52.59 Favored Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 109.86 -1.296 . . . . 50.0 109.86 -174.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -166.91 179.21 5.38 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 106.456 -1.683 . . . . 25.0 106.456 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.66 163.48 24.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 94.3 t80 . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 107.791 -1.189 . . . . 25.0 107.791 179.518 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.221 -0.445 0 N-CA-C 110.394 -0.225 . . . . 50.0 110.394 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -65.76 -41.35 92.21 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.455 -0.778 . . . . 25.0 109.857 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.01 -40.51 85.16 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.141 0.275 . . . . 50.0 110.67 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -73.78 -37.44 64.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.325 0.491 . . . . 50.0 112.325 177.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.5 m -70.65 -48.84 52.88 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.328 0.492 . . . . 50.0 112.328 -177.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -88.08 -23.14 23.8 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -173.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.471 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.8 t -140.33 -170.04 2.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.907 -0.496 . . . . 50.0 109.899 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.4 mm -97.53 108.58 21.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.693 -0.854 . . . . 50.0 108.693 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.3 p -91.86 142.87 27.09 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 173.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.8 p -84.92 169.08 14.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.703 0.287 . . . . 50.0 110.719 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -61.62 -28.03 69.07 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 120.881 0.372 . . . . 50.0 111.297 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -67.88 -38.55 83.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.264 0.554 . . . . 50.0 109.81 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.31 -36.72 77.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.104 -0.498 . . . . 50.0 110.123 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.13 -33.87 75.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.391 -0.368 . . . . 50.0 111.291 178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -61.12 -22.25 64.48 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 113.209 0.818 . . . . 50.0 113.209 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -65.18 -27.03 68.41 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.855 -0.528 . . . . 50.0 111.414 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -68.27 -17.5 64.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.035 0.445 . . . . 50.0 110.03 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.2 p -131.44 49.64 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.469 -0.937 . . . . 50.0 108.469 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 t30 . . . . . 0 C--O 1.209 -1.052 0 C-N-CA 126.702 2.001 . . . . 50.0 113.437 -179.38 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.6 t80 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.899 -0.572 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.32 129.22 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -71.79 130.31 40.77 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.685 0.755 . . . . 50.0 111.54 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -160.11 155.11 24.63 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 104.09 -2.559 . . . . 50.0 104.09 171.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.1 m-70 -66.41 141.57 57.89 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 106.431 -1.692 . . . . 50.0 106.431 170.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -129.31 111.93 13.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.987 0.422 . . . . 50.0 110.906 -174.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.39 157.61 44.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.42 -0.956 . . . . 50.0 108.42 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.38 -137.78 49.72 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.604 -0.808 . . . . 25.0 112.313 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.8 p -60.73 -29.32 69.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.92 -39.21 93.88 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.495 -0.753 . . . . 50.0 110.157 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.4 tp -66.92 -42.46 85.33 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 110.02 -0.363 . . . . 50.0 110.02 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.85 -45.53 98.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.509 -0.314 . . . . 25.0 110.946 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -68.59 -30.19 68.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.744 -0.597 . . . . 50.0 111.68 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.2 78.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.18 -33.71 76.66 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.123 0.416 . . . . 50.0 112.123 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -57.0 -42.48 80.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.713 -0.395 . . . . 25.0 109.94 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.87 -44.26 64.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.645 0.98 . . . . 50.0 113.645 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -75.2 -41.7 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 121.262 0.553 . . . . 50.0 111.407 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 83.6 m -78.72 -24.18 45.07 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.14 -141.7 47.47 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.708 -0.758 . . . . 25.0 112.485 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.1 -9.68 42.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.929 1.085 . . . . 50.0 113.929 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -69.98 -26.05 63.91 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 122.108 -0.37 . . . . 50.0 111.046 178.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.78 179.31 49.7 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 109.471 -1.452 . . . . 50.0 109.471 -174.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -162.81 177.27 9.44 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -131.64 165.34 23.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.664 -1.236 . . . . 50.0 107.664 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.3 t80 . . . . . 0 C--N 1.321 -0.66 0 N-CA-C 105.573 -2.01 . . . . 25.0 105.573 176.082 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.218 -0.588 0 N-CA-C 110.793 -0.077 . . . . 50.0 110.793 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -65.56 -45.02 84.95 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.441 -0.787 . . . . 25.0 108.946 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -58.93 -40.15 83.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.123 0.264 . . . . 50.0 110.663 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 m -73.2 -33.65 65.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.81 1.041 . . . . 50.0 113.81 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.0 m -75.3 -48.58 22.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.767 0.284 . . . . 50.0 111.767 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -88.17 -16.68 32.71 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.558 0.947 . . . . 25.0 113.558 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.602 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 8.3 t -139.15 -178.41 5.34 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.0 -0.741 . . . . 50.0 109.0 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.9 mm -74.11 119.25 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 121.477 -0.764 . . . . 50.0 110.571 -167.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -90.12 74.78 7.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -63.61 164.83 8.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.523 -0.762 . . . . 50.0 109.581 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -52.99 -30.72 36.78 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 112.869 0.692 . . . . 50.0 112.869 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -64.88 -39.61 93.82 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.017 0.437 . . . . 50.0 111.657 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -69.36 -41.43 76.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.577 -0.897 . . . . 50.0 108.577 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.56 -36.9 84.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.854 -0.612 . . . . 50.0 112.046 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.5 -29.84 66.57 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.219 0.822 . . . . 50.0 113.219 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -67.08 -26.65 66.82 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.446 0.535 . . . . 50.0 112.446 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -73.74 -21.17 60.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.72 0.295 . . . . 50.0 110.296 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.4 m -75.83 102.77 5.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.701 0.763 . . . . 50.0 110.432 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.207 -1.164 0 CA-C-O 124.04 1.876 . . . . 50.0 112.405 178.707 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 119.105 -0.474 . . . . 25.0 109.813 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 66.5 t -113.82 123.51 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.18 130.03 41.84 Favored 'General case' 0 CA--C 1.503 -0.832 0 C-N-CA 120.764 -0.374 . . . . 50.0 110.741 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -160.37 156.23 25.86 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 105.109 -2.182 . . . . 50.0 105.109 174.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.602 ' HD1' ' C ' ' A' ' 9' ' ' SER . 60.4 m-70 -75.57 140.76 42.88 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 106.942 -1.503 . . . . 50.0 106.942 170.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -126.79 124.38 39.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.479 0.581 . . . . 50.0 110.32 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 t -144.86 159.64 42.57 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.435 -0.58 . . . . 50.0 109.435 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.62 -142.77 48.14 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 121.029 -0.605 . . . . 25.0 112.315 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -27.48 67.28 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.587 0.588 . . . . 25.0 112.587 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -66.32 -29.11 69.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.842 -0.536 . . . . 50.0 111.478 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 tp -67.82 -41.79 82.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.059 -0.719 . . . . 50.0 109.059 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.23 -40.07 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.346 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.67 -34.61 77.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.861 0.362 . . . . 50.0 111.038 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.05 -34.68 64.14 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.075 -0.342 . . . . 25.0 110.075 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.1 mt -65.61 -30.65 71.4 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.998 0.37 . . . . 50.0 111.998 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -60.36 -36.7 78.64 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.554 175.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.95 -43.45 65.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.666 0.617 . . . . 50.0 112.666 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.55 -39.18 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.009 0.433 . . . . 50.0 111.829 -172.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -21.32 40.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.288 -0.634 . . . . 50.0 109.288 176.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.65 -159.49 50.56 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.53 -0.843 . . . . 25.0 111.535 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.16 -6.19 12.61 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 114.035 1.124 . . . . 50.0 114.035 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.09 -25.1 66.86 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.824 0.345 . . . . 50.0 110.458 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.39 171.93 48.15 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 111.722 -0.551 . . . . 50.0 111.722 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -164.16 176.67 9.02 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -136.18 163.36 30.55 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.736 -1.579 . . . . 50.0 106.736 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 106.739 -1.578 . . . . 25.0 106.739 179.353 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.219 -0.519 0 N-CA-C 109.591 -0.522 . . . . 50.0 109.591 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -65.23 -38.46 90.46 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.954 -0.298 . . . . 25.0 110.478 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -59.44 -36.18 75.43 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.376 0.139 . . . . 50.0 111.376 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.1 m -81.61 -35.15 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.245 0.461 . . . . 50.0 112.245 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.67 -52.17 11.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.567 0.951 . . . . 50.0 113.567 -174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -87.83 -21.07 25.26 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.469 0.652 . . . . 25.0 111.757 -173.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.469 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 29.2 p -140.04 -170.68 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.867 -0.79 . . . . 50.0 108.867 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mm -96.48 134.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 106.908 -1.516 . . . . 50.0 106.908 -175.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -118.79 145.38 45.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.976 -1.49 . . . . 25.0 106.976 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.8 t -85.35 166.05 16.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.302 -0.408 . . . . 50.0 110.613 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.03 -27.87 63.95 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 112.31 0.485 . . . . 50.0 112.31 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -65.34 -36.14 83.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.558 0.694 . . . . 50.0 110.682 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -72.36 -36.57 68.81 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.99 -0.745 . . . . 50.0 108.99 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.58 -36.86 84.05 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.207 -0.308 . . . . 50.0 110.563 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.76 -20.32 63.43 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.5 0.926 . . . . 50.0 113.5 175.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -27.09 65.53 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.596 -0.69 . . . . 50.0 110.728 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -74.21 -8.69 57.09 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.015 0.436 . . . . 50.0 111.213 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -77.1 155.96 32.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.519 0.675 . . . . 50.0 109.274 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 C--O 1.213 -0.83 0 CA-C-O 123.513 1.625 . . . . 50.0 111.33 176.626 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.8 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.993 -0.527 . . . . 25.0 109.701 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.48 116.25 43.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.03 127.43 32.54 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 120.41 -0.516 . . . . 50.0 110.472 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -159.0 151.52 21.62 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 104.222 -2.51 . . . . 50.0 104.222 173.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 66.7 m-70 -68.11 140.23 56.2 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 106.638 -1.615 . . . . 50.0 106.638 170.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.5 mt -126.95 106.6 9.41 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.009 0.523 . . . . 50.0 109.958 -174.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.27 160.28 40.32 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.237 -1.023 . . . . 50.0 108.237 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.56 -138.18 48.48 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.591 -0.814 . . . . 25.0 111.657 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 33.0 p -61.38 -30.32 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.04 -38.16 87.66 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.69 -0.631 . . . . 50.0 110.051 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.17 -45.98 75.34 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.17 -0.308 . . . . 50.0 110.17 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.07 -42.22 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.846 0.355 . . . . 25.0 111.088 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -67.74 -29.35 68.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.661 -0.649 . . . . 50.0 111.342 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.91 76.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.16 -34.22 77.86 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.635 0.235 . . . . 50.0 111.635 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.2 -39.36 86.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 120.964 -0.295 . . . . 25.0 110.208 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.1 mt -71.93 -45.75 60.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.656 0.613 . . . . 50.0 112.656 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.28 -41.1 57.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.221 0.534 . . . . 50.0 111.319 -173.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -22.76 33.42 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.623 -0.831 . . . . 50.0 110.677 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.17 -148.53 50.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.194 -1.003 . . . . 25.0 111.089 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.63 -6.58 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.199 1.185 . . . . 50.0 114.199 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.68 -26.39 67.01 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.003 0.371 . . . . 50.0 112.003 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.24 157.94 24.88 Favored Glycine 0 C--O 1.225 -0.421 0 C-N-CA 121.117 -0.564 . . . . 50.0 111.972 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -151.35 176.83 10.87 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 -176.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -131.87 159.83 37.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.146 -1.057 . . . . 50.0 108.146 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.9 t80 . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 106.872 -1.529 . . . . 25.0 106.872 177.585 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 121.792 0.806 . . . . 50.0 110.551 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.05 -33.45 76.06 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.804 -0.635 . . . . 25.0 109.99 -176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -59.8 -40.85 89.76 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 120.631 -0.427 . . . . 50.0 110.707 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.3 m -77.78 -22.14 50.63 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.368 0.507 . . . . 50.0 112.368 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.4 m -86.83 -32.81 20.09 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.747 -0.381 . . . . 50.0 111.925 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -88.16 -35.83 17.18 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.521 0.563 . . . . 25.0 112.521 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -135.71 166.86 22.29 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 107.224 -1.398 . . . . 50.0 107.224 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 mm -81.48 118.12 28.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 119.772 -0.771 . . . . 50.0 109.549 -176.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -87.33 132.12 34.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p -81.34 171.1 15.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.391 -0.596 . . . . 50.0 109.391 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.87 -30.0 67.4 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.044 0.387 . . . . 50.0 112.044 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -69.52 -37.2 77.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.207 0.527 . . . . 50.0 110.192 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -70.92 -39.73 72.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.512 -0.922 . . . . 50.0 108.512 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 mt -62.77 -31.98 73.05 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 113.182 0.808 . . . . 50.0 113.182 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.77 -30.92 64.1 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.671 0.669 . . . . 50.0 111.231 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -68.31 -27.96 66.74 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.097 0.406 . . . . 50.0 112.097 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -70.75 -21.65 62.5 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 110.132 -0.321 . . . . 50.0 110.132 -177.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.6 p -121.97 25.39 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.771 0.796 . . . . 50.0 110.943 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 C--O 1.209 -1.079 0 CA-C-O 124.024 1.868 . . . . 50.0 113.084 -178.386 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 119.052 -0.499 . . . . 25.0 109.692 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -138.38 143.51 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 106.19 -1.782 . . . . 25.0 106.19 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -81.28 127.29 32.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.422 0.63 . . . . 50.0 110.77 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -160.06 140.8 12.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 104.845 -2.28 . . . . 50.0 104.845 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -70.39 132.76 46.12 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.692 -0.403 . . . . 50.0 110.84 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 mt -135.08 129.54 34.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.55 -1.278 . . . . 50.0 107.55 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -138.15 162.22 34.79 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.895 -1.15 . . . . 50.0 107.895 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.16 -138.06 45.72 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.462 -0.875 . . . . 25.0 111.743 178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.4 p -60.41 -28.45 68.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -68.94 -30.69 69.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.514 -0.741 . . . . 50.0 110.793 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.52 -34.51 65.27 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.696 -0.483 . . . . 50.0 109.696 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.28 -40.38 87.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.907 -0.775 . . . . 25.0 108.907 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -68.13 -25.89 65.51 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.912 -0.493 . . . . 50.0 111.917 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -43.68 79.55 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.55 -31.44 72.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.082 -0.508 . . . . 50.0 112.151 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -55.68 -44.53 77.4 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 174.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.86 -43.14 65.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.127 0.788 . . . . 50.0 113.127 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.25 -43.92 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.288 0.477 . . . . 50.0 112.288 -172.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -18.42 32.26 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.077 -0.649 . . . . 50.0 109.758 177.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.96 -157.56 53.38 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.436 -0.887 . . . . 25.0 113.473 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -65.04 -6.58 9.09 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 116.215 1.932 . . . . 50.0 116.215 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -71.84 -13.29 61.64 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.112 0.869 . . . . 50.0 111.444 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.28 171.34 44.17 Favored Glycine 0 C--O 1.228 -0.276 0 N-CA-C 109.105 -1.598 . . . . 50.0 109.105 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -164.37 174.34 11.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -130.38 164.98 23.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.04 -1.467 . . . . 50.0 107.04 176.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.3 t80 . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -178.572 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 113.066 0.765 . . . . 50.0 113.066 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -63.77 -32.51 74.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.882 -0.512 . . . . 25.0 111.627 -175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -57.95 -39.99 79.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.804 0.335 . . . . 50.0 110.581 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.7 m -90.43 -21.18 22.04 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.369 -0.533 . . . . 50.0 111.821 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -71.25 -44.51 65.14 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.9 -0.407 . . . . 50.0 109.9 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -88.09 -19.09 27.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.16 1.171 . . . . 25.0 114.16 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.54 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 6.1 t -142.75 -178.67 5.91 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.724 -0.61 . . . . 50.0 112.332 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -84.99 127.9 39.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.211 -0.663 . . . . 50.0 109.211 -172.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.0 m -112.05 105.46 13.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.221 0.534 . . . . 25.0 110.124 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -67.05 165.75 15.13 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.093 -1.447 . . . . 50.0 107.093 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -54.24 -31.69 54.04 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.16 0.8 . . . . 50.0 113.16 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -66.06 -38.54 88.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.44 0.638 . . . . 50.0 111.636 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -70.11 -37.35 75.33 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.785 -0.82 . . . . 50.0 108.785 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.44 -32.22 73.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.364 -0.835 . . . . 50.0 111.979 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -59.24 -18.97 41.78 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.376 0.88 . . . . 50.0 113.376 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -66.92 -28.21 68.11 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.784 -0.572 . . . . 50.0 111.616 175.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -88.18 -1.58 58.1 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.275 0.63 . . . . 50.0 110.384 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -86.46 152.46 22.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.621 0.971 . . . . 50.0 113.621 -169.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 t30 . . . . . 0 C--O 1.217 -0.611 0 CA-C-O 124.077 1.894 . . . . 50.0 111.039 173.609 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.883 -0.58 . . . . 25.0 109.594 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 83.5 t -124.18 129.03 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -76.18 126.39 30.9 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 120.225 -0.59 . . . . 50.0 110.777 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -160.19 152.67 20.91 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 104.355 -2.461 . . . . 50.0 104.355 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.54 ' HD1' ' C ' ' A' ' 9' ' ' SER . 62.0 m-70 -67.27 140.96 57.37 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.011 -1.478 . . . . 50.0 107.011 170.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.92 105.83 12.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.214 0.53 . . . . 50.0 110.041 -176.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.52 152.08 46.65 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.007 -0.738 . . . . 50.0 109.007 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.39 -135.23 47.91 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.413 -0.899 . . . . 25.0 111.837 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.4 p -60.53 -29.99 69.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -63.2 -35.61 80.88 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.74 -0.6 . . . . 50.0 110.983 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.8 tp -68.0 -47.77 67.59 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.778 -0.369 . . . . 50.0 111.384 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m -69.37 -34.01 60.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 120.075 -0.65 . . . . 25.0 111.008 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -64.71 -41.29 96.11 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.963 -0.461 . . . . 50.0 110.674 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.87 91.19 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 mt -66.12 -32.3 73.67 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.487 0.921 . . . . 50.0 113.487 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -59.92 -37.43 79.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.78 -44.41 64.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.675 0.62 . . . . 50.0 112.675 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -68.42 -40.24 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.415 0.626 . . . . 50.0 110.635 -174.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.4 m -89.09 -23.85 22.41 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.388 0.884 . . . . 50.0 113.388 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.67 -142.18 48.08 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.583 -1.407 . . . . 25.0 109.583 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -70.18 -6.33 33.63 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.576 1.324 . . . . 50.0 114.576 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.03 -25.12 64.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.69 -0.631 . . . . 50.0 111.92 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.94 177.38 50.58 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.186 -0.766 . . . . 50.0 111.186 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -156.92 -179.64 8.4 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.509 -1.663 . . . . 25.0 106.509 -176.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -130.13 168.23 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.587 0.708 . . . . 50.0 110.224 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 C--N 1.321 -0.645 0 N-CA-C 105.655 -1.98 . . . . 25.0 105.655 -179.054 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.223 -0.322 0 CA-C-O 120.226 0.06 . . . . 50.0 110.845 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -65.87 -44.81 84.28 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.447 -0.783 . . . . 25.0 109.766 177.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -59.67 -40.21 87.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.815 0.34 . . . . 50.0 110.563 -177.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.6 m -77.73 -20.71 53.04 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.653 0.982 . . . . 50.0 113.653 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.6 t -87.17 -44.38 11.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.799 0.333 . . . . 50.0 111.115 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -84.86 -14.94 46.38 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -176.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.565 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 8.1 t -142.56 -178.21 5.66 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 122.03 -0.418 . . . . 50.0 109.948 177.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -74.29 120.91 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.561 0.696 . . . . 50.0 110.716 -169.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -94.45 102.39 14.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 178.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.6 p -78.93 166.29 22.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.513 -0.921 . . . . 50.0 108.513 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.92 -28.96 68.04 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.832 0.348 . . . . 50.0 111.451 179.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -67.38 -37.76 83.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.432 0.634 . . . . 50.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.17 -37.76 78.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.433 -0.581 . . . . 50.0 109.433 177.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.09 -37.02 83.45 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.65 -0.705 . . . . 50.0 112.38 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.91 -29.74 63.31 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.543 0.571 . . . . 50.0 112.543 178.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.13 -26.84 68.36 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.421 0.897 . . . . 50.0 113.421 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -74.2 -7.12 51.57 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.116 0.484 . . . . 50.0 111.411 -178.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.9 m -106.88 135.41 48.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.729 0.776 . . . . 50.0 110.081 -173.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 t30 . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 124.566 2.127 . . . . 50.0 112.005 -178.378 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.63 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.49 130.24 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -67.95 129.41 39.82 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.138 0.494 . . . . 50.0 111.318 178.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -159.72 155.53 26.14 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 104.86 -2.274 . . . . 50.0 104.86 171.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.565 ' HD1' ' C ' ' A' ' 9' ' ' SER . 63.7 m-70 -69.07 143.22 54.3 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.528 -1.656 . . . . 50.0 106.528 168.385 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.09 108.22 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.98 0.419 . . . . 50.0 111.272 -177.116 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.3 m -122.23 150.76 41.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.708 -0.479 . . . . 50.0 109.708 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.74 -134.39 51.75 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 120.921 -0.657 . . . . 25.0 112.802 176.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -58.35 -31.03 67.22 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -59.86 -36.07 76.11 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.751 0.705 . . . . 50.0 110.636 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.4 tp -68.0 -45.21 74.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.987 0.423 . . . . 50.0 110.112 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -64.82 -43.14 96.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.187 -178.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.34 -34.29 77.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.892 0.377 . . . . 50.0 110.675 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.9 -34.18 66.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.779 0.323 . . . . 25.0 110.323 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.26 -34.16 77.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.825 0.306 . . . . 50.0 111.825 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -61.46 -35.81 78.67 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.946 -0.302 . . . . 25.0 110.365 176.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.88 -48.03 48.64 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.038 0.755 . . . . 50.0 113.038 178.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.42 -42.12 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.132 -0.485 . . . . 50.0 111.51 -171.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -97.44 -8.19 29.94 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.624 -0.43 . . . . 50.0 112.078 -178.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.1 -154.56 51.37 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.212 -0.994 . . . . 25.0 113.213 175.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -68.27 -6.51 24.3 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.552 0.945 . . . . 50.0 113.552 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -67.48 -21.94 65.5 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 122.232 -0.293 . . . . 50.0 111.27 179.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.63 179.33 50.34 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.932 -0.652 . . . . 50.0 112.51 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -165.83 -177.7 4.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 -175.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -132.3 161.31 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.598 -1.26 . . . . 50.0 107.598 174.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.0 t80 . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 -178.492 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.218 -0.557 0 N-CA-C 110.765 -0.087 . . . . 50.0 110.765 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -68.73 -44.83 72.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.118 -0.697 . . . . 25.0 109.118 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.14 -39.44 82.39 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 123.062 0.226 . . . . 50.0 111.369 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.5 m -75.98 -36.74 59.12 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.165 0.802 . . . . 50.0 113.165 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.2 m -75.39 -51.14 13.81 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.807 0.669 . . . . 50.0 112.807 -177.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -87.95 -19.82 26.75 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.399 0.889 . . . . 25.0 113.399 -174.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.582 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 2.6 p -136.61 -175.29 3.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.847 -0.797 . . . . 50.0 108.847 -176.61 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -71.32 120.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 121.393 -0.817 . . . . 50.0 111.981 -166.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 t -94.34 90.52 6.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.911 -1.04 . . . . 25.0 108.21 178.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.8 p -77.54 165.95 23.68 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.227 -0.657 . . . . 50.0 109.227 -179.151 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.07 -28.98 66.98 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 111.906 0.336 . . . . 50.0 111.906 179.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.79 -37.82 82.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.335 0.588 . . . . 50.0 110.927 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.37 -40.44 81.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.642 -0.873 . . . . 50.0 108.642 177.255 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.2 -36.94 83.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.951 -0.568 . . . . 50.0 112.226 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.39 -30.98 67.23 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.838 0.681 . . . . 50.0 112.838 178.302 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.85 -26.82 66.23 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.08 0.77 . . . . 50.0 113.08 -177.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -72.27 -6.79 45.55 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.085 0.469 . . . . 50.0 110.903 179.504 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.7 m -110.47 40.16 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.01 0.909 . . . . 50.0 110.378 -175.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 C--O 1.213 -0.845 0 CA-C-O 123.428 1.585 . . . . 50.0 111.204 -179.484 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.059 -0.349 . . . . 25.0 110.059 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.6 t -95.82 112.42 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -64.7 134.75 54.87 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 109.806 -0.442 . . . . 50.0 109.806 178.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -159.91 159.71 32.69 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 105.326 -2.101 . . . . 50.0 105.326 175.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.582 ' HD1' ' C ' ' A' ' 9' ' ' SER . 44.4 m-70 -68.24 137.64 54.92 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 106.067 -1.827 . . . . 50.0 106.067 170.182 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.3 mt -135.66 121.86 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.922 0.392 . . . . 50.0 111.08 -175.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -144.58 164.24 31.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.764 -0.828 . . . . 50.0 108.764 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.04 -143.88 48.62 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.821 -0.704 . . . . 25.0 112.311 178.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -27.72 68.72 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -63.47 -36.04 82.44 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 122.089 -0.382 . . . . 50.0 110.449 178.133 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.8 tp -67.15 -43.08 83.22 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 109.622 -0.51 . . . . 50.0 109.622 178.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.89 -42.63 96.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.919 -179.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -63.77 -34.66 78.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.03 0.443 . . . . 50.0 110.935 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.68 -36.37 73.28 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.789 -0.364 . . . . 25.0 110.474 179.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.98 -35.93 82.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.564 -0.289 . . . . 50.0 111.674 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -59.03 -38.36 79.12 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 110.139 -0.319 . . . . 25.0 110.139 176.576 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.8 mt -71.77 -48.43 46.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.791 1.034 . . . . 50.0 113.791 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.64 -40.8 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.231 0.538 . . . . 50.0 110.936 -171.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -99.93 -10.89 21.16 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.824 0.676 . . . . 50.0 112.824 -175.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.25 -140.95 38.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.04 -1.076 . . . . 25.0 113.748 176.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -7.27 36.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 116.595 2.072 . . . . 50.0 116.595 -176.455 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -75.21 -15.21 60.56 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 119.02 0.827 . . . . 50.0 111.576 -177.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.24 176.97 51.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.192 -0.528 . . . . 50.0 112.459 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -167.57 179.25 4.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.06 -2.2 . . . . 25.0 105.06 -177.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -128.76 162.42 27.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.453 0.644 . . . . 50.0 110.202 174.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 105.51 -2.033 . . . . 25.0 105.51 179.691 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 120.544 0.211 . . . . 50.0 110.738 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -65.62 -42.57 91.4 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 121.797 -0.564 . . . . 25.0 109.706 177.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -57.76 -45.1 86.37 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 110.19 -0.3 . . . . 50.0 110.19 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 m -75.14 -28.18 60.07 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.61 -0.436 . . . . 50.0 111.945 -176.663 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -73.87 -53.35 10.39 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.031 -0.268 . . . . 50.0 111.65 178.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -88.1 -16.58 33.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -172.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.487 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.7 t -141.95 -168.31 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.507 -1.294 . . . . 50.0 107.507 178.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.39 116.22 50.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 O-C-N 121.73 -0.606 . . . . 50.0 109.579 -176.033 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.9 m -75.75 130.98 39.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 173.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.7 p -74.09 166.6 23.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.864 -1.532 . . . . 50.0 106.864 174.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.81 -31.83 68.81 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 120.849 -0.341 . . . . 50.0 111.284 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -65.16 -38.46 90.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.428 0.632 . . . . 50.0 111.5 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -69.49 -39.48 77.62 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 177.6 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.38 -35.47 80.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.327 0.491 . . . . 50.0 112.327 179.222 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -55.22 -30.23 59.59 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.286 0.476 . . . . 50.0 112.286 177.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -62.66 -26.87 68.86 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.605 0.965 . . . . 50.0 113.605 -179.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -62.85 -22.66 66.84 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 122.26 -0.275 . . . . 50.0 110.787 178.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.6 p -130.93 44.74 2.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.073 0.94 . . . . 50.0 109.402 175.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 C--O 1.21 -0.975 0 CA-C-O 124.051 1.882 . . . . 50.0 112.26 -179.078 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.76 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.99 123.64 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.26 126.84 31.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 120.266 -0.574 . . . . 50.0 110.344 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -160.18 149.78 17.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 105.516 -2.031 . . . . 50.0 105.516 174.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.4 m-70 -72.67 141.56 48.26 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.473 -0.936 . . . . 50.0 108.473 173.461 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.3 mt -130.27 105.35 7.85 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.629 0.371 . . . . 50.0 110.702 -172.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 t -133.33 -17.46 2.33 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.01 1.485 . . . . 50.0 115.01 -177.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.76 -137.3 6.36 Favored Glycine 0 C--O 1.229 -0.192 0 N-CA-C 110.092 -1.203 . . . . 25.0 110.092 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.2 p -55.95 -26.9 50.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.986 0.422 . . . . 25.0 111.719 176.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -55.61 -36.25 66.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.028 0.751 . . . . 50.0 113.028 177.074 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.4 tp -67.98 -40.13 83.19 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.593 -0.521 . . . . 50.0 109.593 -177.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.1 t -67.25 -42.97 88.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.229 0.538 . . . . 25.0 110.106 177.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.73 -34.86 78.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.456 . . . . 50.0 110.674 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.93 74.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.502 -0.317 . . . . 25.0 110.315 179.558 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -65.2 -29.69 70.53 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.86 0.689 . . . . 50.0 112.86 -178.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -58.5 -42.41 87.59 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.068 0.461 . . . . 25.0 110.175 174.649 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.4 mt -71.99 -44.07 64.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.063 0.458 . . . . 50.0 112.161 -178.083 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -75.4 -41.46 42.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.917 -0.583 . . . . 50.0 111.82 -172.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -16.45 47.11 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.439 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.82 -158.59 53.72 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-O 121.939 0.744 . . . . 25.0 113.249 177.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.99 -6.41 16.75 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.849 1.055 . . . . 50.0 113.849 -178.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -65.66 -24.71 67.09 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.708 0.289 . . . . 50.0 111.516 178.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.38 174.52 50.39 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 108.725 -1.75 . . . . 50.0 108.725 -174.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -163.05 177.26 9.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 -176.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -131.14 160.65 34.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.952 -1.499 . . . . 50.0 106.952 173.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 t80 . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 178.94 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.218 -0.602 0 N-CA-C 110.101 -0.333 . . . . 50.0 110.101 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -65.23 -40.5 94.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.364 -0.21 . . . . 25.0 111.102 179.383 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -60.9 -43.67 98.19 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 120.483 -0.487 . . . . 50.0 110.012 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 m -73.23 -29.88 63.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.352 0.501 . . . . 50.0 112.352 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.2 t -70.11 -51.13 34.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.835 0.35 . . . . 50.0 110.589 -178.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 t -87.97 -22.69 24.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 -174.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.57 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 7.7 t -137.62 -176.99 4.6 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.512 -0.742 . . . . 50.0 110.858 -178.437 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -70.55 122.05 21.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 122.073 0.939 . . . . 50.0 112.103 -166.03 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -94.91 86.17 4.59 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 177.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.8 p -73.99 171.58 13.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.676 -0.693 . . . . 50.0 109.215 -179.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.45 -27.84 66.44 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 122.315 -0.241 . . . . 50.0 111.245 178.057 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -71.28 -38.31 71.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.091 0.472 . . . . 50.0 110.46 179.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -67.0 -39.83 87.21 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.438 -0.949 . . . . 50.0 108.438 177.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.64 -36.99 85.3 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.783 -0.644 . . . . 50.0 111.897 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.15 -31.43 68.96 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.095 -0.378 . . . . 50.0 111.906 177.12 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -66.02 -26.83 67.71 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.578 0.584 . . . . 50.0 112.578 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.1 -26.35 63.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.897 0.379 . . . . 50.0 110.21 177.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -73.64 135.7 43.81 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.956 -0.757 . . . . 50.0 108.956 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--O 1.207 -1.143 0 CA-C-O 123.914 1.816 . . . . 50.0 112.501 -179.925 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 119.001 -0.524 . . . . 25.0 109.774 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -132.67 143.55 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 106.703 -1.591 . . . . 25.0 106.703 -178.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -64.36 137.73 58.05 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 120.507 -0.477 . . . . 50.0 110.278 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -160.05 140.0 11.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.43 -0.805 . . . . 50.0 109.802 176.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.57 ' HD1' ' C ' ' A' ' 9' ' ' SER . 78.7 m-70 -74.29 141.09 45.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.272 -1.751 . . . . 50.0 106.272 166.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -138.44 119.37 14.31 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 117.986 0.357 . . . . 50.0 110.105 -177.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -131.49 -57.05 1.01 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.829 1.048 . . . . 50.0 113.829 -176.359 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.74 -143.35 4.78 Favored Glycine 0 C--O 1.224 -0.512 0 C-N-CA 121.336 -0.459 . . . . 25.0 112.234 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -26.26 8.03 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.314 1.227 . . . . 25.0 114.314 179.322 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -56.46 -36.38 68.99 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.27 0.47 . . . . 50.0 112.27 175.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.57 -42.18 82.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.182 0.515 . . . . 50.0 110.186 -178.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.95 -42.62 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.369 179.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.45 -32.69 74.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.02 0.438 . . . . 50.0 111.321 -179.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.57 -34.52 65.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.876 0.369 . . . . 25.0 110.25 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.49 -30.7 71.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.161 0.43 . . . . 50.0 112.161 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -59.24 -39.82 84.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.948 0.404 . . . . 25.0 110.15 175.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.0 mt -71.9 -44.62 63.42 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.738 0.644 . . . . 50.0 112.738 -178.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.05 -39.92 21.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.894 0.378 . . . . 50.0 111.364 -172.444 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -22.64 47.63 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.81 -0.756 . . . . 50.0 109.447 177.44 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.72 -148.43 50.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.345 -0.931 . . . . 25.0 111.83 179.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.28 -6.44 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.258 1.207 . . . . 50.0 114.258 -178.595 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -66.34 -26.85 67.48 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.016 -0.428 . . . . 50.0 111.407 178.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.83 168.4 39.25 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 109.127 -1.589 . . . . 50.0 109.127 -174.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -157.63 176.7 12.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -177.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -130.96 162.62 29.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.117 -1.438 . . . . 50.0 107.117 175.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.3 t80 . . . . . 0 C--N 1.321 -0.647 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 177.437 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 109.438 -0.578 . . . . 50.0 109.438 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -65.55 -36.51 84.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.287 -0.415 . . . . 25.0 110.112 179.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.84 -45.16 93.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.824 0.345 . . . . 50.0 110.659 179.297 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -79.91 -12.65 59.72 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.294 0.479 . . . . 50.0 112.294 -179.493 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -86.98 -42.68 12.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 50.0 110.032 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -83.94 -26.59 29.16 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 -177.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.505 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 12.2 t -136.38 179.01 6.62 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 107.299 -1.371 . . . . 50.0 107.299 177.557 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.77 114.94 36.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 118.881 0.764 . . . . 50.0 109.117 -176.221 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.1 m -75.93 118.05 18.31 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.663 -1.606 . . . . 25.0 106.663 171.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.3 p -71.77 170.74 12.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.351 -1.352 . . . . 50.0 107.351 176.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.07 -30.05 63.98 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 111.951 0.352 . . . . 50.0 111.951 -179.625 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -69.02 -37.99 78.96 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 121.27 0.557 . . . . 50.0 111.173 179.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -72.37 -38.47 68.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.137 -0.69 . . . . 50.0 109.137 178.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.13 -32.41 73.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.929 -0.578 . . . . 50.0 112.067 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -56.03 -27.09 51.73 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.576 0.584 . . . . 50.0 112.576 176.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.54 -26.76 68.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.637 0.606 . . . . 50.0 112.637 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -69.61 -18.18 63.59 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.63 0.253 . . . . 50.0 111.226 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.4 p -134.75 40.39 2.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.224 1.012 . . . . 50.0 109.727 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 . . . . . 0 C--O 1.208 -1.079 0 CA-C-O 124.001 1.858 . . . . 50.0 112.454 178.631 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.7 t80 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 119.058 -0.496 . . . . 25.0 109.747 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.16 128.75 71.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 179.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -71.54 127.74 33.57 Favored 'General case' 0 CA--C 1.506 -0.735 0 C-N-CA 120.106 -0.637 . . . . 50.0 109.848 -179.445 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -158.64 151.42 22.19 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 103.075 -2.935 . . . . 50.0 103.075 173.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.8 m-70 -66.77 142.91 57.21 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.695 -0.854 . . . . 50.0 108.695 175.085 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.05 112.98 21.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.999 0.428 . . . . 50.0 110.078 -176.639 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.42 151.01 50.92 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.706 -0.85 . . . . 50.0 108.706 179.342 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.54 -139.95 48.27 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.689 -0.767 . . . . 25.0 112.271 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -26.44 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -61.71 -30.07 70.52 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.84 -0.538 . . . . 50.0 111.008 178.718 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.53 -41.56 72.39 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-O 120.867 0.365 . . . . 50.0 110.253 178.215 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.6 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.43 0.633 . . . . 25.0 109.83 178.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -63.66 -35.97 82.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.086 -0.506 . . . . 50.0 111.024 179.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.76 -38.71 73.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.961 0.41 . . . . 25.0 110.27 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.59 -31.69 73.02 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.574 0.583 . . . . 50.0 112.574 -178.098 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.93 -41.69 83.28 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.712 -0.395 . . . . 25.0 110.705 176.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.95 -43.01 65.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.617 0.599 . . . . 50.0 112.617 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.55 -43.2 48.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.89 0.376 . . . . 50.0 111.476 -173.3 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -80.97 -20.22 42.39 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.75 -0.38 . . . . 50.0 110.199 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.95 -152.4 51.87 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.557 -0.83 . . . . 25.0 112.426 178.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -68.07 -6.15 21.26 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.036 1.125 . . . . 50.0 114.036 -178.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -68.72 -25.9 64.99 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.782 0.325 . . . . 50.0 110.534 177.293 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.33 179.68 52.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 110.587 -1.005 . . . . 50.0 110.587 -176.377 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -164.57 177.53 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 -178.102 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -128.42 160.15 33.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.38 -0.97 . . . . 50.0 108.38 176.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.4 t80 . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 179.222 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.219 -0.502 0 N-CA-C 110.664 -0.125 . . . . 50.0 110.664 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -67.28 -46.01 74.89 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 176.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -59.59 -39.98 85.94 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.602 -0.272 . . . . 50.0 110.708 -179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.1 m -72.92 -28.55 62.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.542 0.941 . . . . 50.0 113.542 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.04 -48.04 11.89 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.232 0.456 . . . . 50.0 112.232 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -86.01 -19.39 30.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -174.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.554 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 8.1 t -141.67 -176.29 4.7 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.741 -0.466 . . . . 50.0 109.741 178.814 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.82 122.17 19.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.819 0.819 . . . . 50.0 111.88 -167.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -91.65 85.76 5.78 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 106.996 -1.483 . . . . 25.0 106.996 176.004 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -72.48 167.69 20.07 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.001 -0.741 . . . . 50.0 109.001 -178.329 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.49 -29.4 67.81 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 121.107 -0.237 . . . . 50.0 111.512 179.338 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -67.68 -38.97 84.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.341 0.591 . . . . 50.0 110.971 179.057 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -66.17 -40.21 90.33 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 108.352 -0.981 . . . . 50.0 108.352 176.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -64.77 -37.03 86.22 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.18 0.437 . . . . 50.0 112.18 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.36 -34.73 70.98 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.93 -0.481 . . . . 50.0 111.813 177.429 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -64.79 -26.89 68.54 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.388 0.884 . . . . 50.0 113.388 -178.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -68.07 -25.21 65.23 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.971 -0.455 . . . . 50.0 110.46 178.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.2 m -82.54 109.3 16.62 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.62 -0.881 . . . . 50.0 108.62 178.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.206 -1.189 0 CA-C-O 123.998 1.856 . . . . 50.0 113.4 -179.29 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 91.6 t80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 119.03 -0.509 . . . . 25.0 110.027 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.53 120.48 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -64.53 134.75 55.07 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 120.789 0.328 . . . . 50.0 111.134 -179.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.12 158.52 30.42 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 105.402 -2.073 . . . . 50.0 105.402 175.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.554 ' HD1' ' C ' ' A' ' 9' ' ' SER . 53.1 m-70 -69.43 142.62 53.8 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 105.896 -1.89 . . . . 50.0 105.896 168.607 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.8 mt -136.53 127.56 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.104 0.779 . . . . 50.0 113.104 -174.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -138.03 164.11 29.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.879 -0.786 . . . . 50.0 108.879 176.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.13 -140.96 38.25 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 114.457 0.543 . . . . 25.0 114.457 173.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -29.17 68.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -64.52 -35.44 80.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.152 -0.343 . . . . 50.0 111.006 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.15 -41.7 90.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.486 -0.561 . . . . 50.0 109.486 178.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.06 -40.79 86.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.207 -0.451 . . . . 25.0 110.986 179.08 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -61.41 -35.31 77.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.138 0.494 . . . . 50.0 110.513 178.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -34.03 65.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.907 -179.228 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.42 -34.08 77.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.425 -0.172 . . . . 50.0 111.279 179.431 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -59.68 -38.05 80.47 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 120.653 0.263 . . . . 25.0 110.441 175.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.97 -44.0 64.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.952 0.723 . . . . 50.0 112.952 -179.383 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.5 -42.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.281 -0.418 . . . . 50.0 111.797 -171.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.64 -11.99 40.94 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.956 -0.698 . . . . 50.0 110.817 179.039 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.93 -148.05 46.14 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-O 122.532 1.074 . . . . 25.0 113.788 175.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -15.02 61.85 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 116.084 1.883 . . . . 50.0 116.084 -176.784 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -73.3 -14.9 61.39 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.293 0.497 . . . . 50.0 111.569 -177.321 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.22 178.51 52.42 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-O 121.651 0.584 . . . . 50.0 112.952 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -166.41 178.39 6.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 103.702 -2.703 . . . . 25.0 103.702 -177.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -134.7 162.49 32.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.235 -1.765 . . . . 50.0 106.235 170.708 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 C--N 1.321 -0.646 0 N-CA-C 106.133 -1.803 . . . . 25.0 106.133 179.078 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.219 -0.501 0 N-CA-C 110.089 -0.338 . . . . 50.0 110.089 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -65.44 -43.3 90.86 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.734 -0.604 . . . . 25.0 109.38 177.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -57.05 -46.78 82.18 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.264 0.353 . . . . 50.0 110.221 179.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.2 m -72.43 -33.46 67.12 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.139 0.792 . . . . 50.0 113.139 -177.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.5 m -73.04 -53.42 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.871 0.323 . . . . 50.0 111.871 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 t -87.92 -16.19 34.55 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -172.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.544 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 84.5 p -144.79 -175.54 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.93 -0.481 . . . . 50.0 109.731 -178.632 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mm -68.23 121.52 17.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.807 0.813 . . . . 50.0 111.787 -167.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.58 150.02 20.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 104.835 -2.283 . . . . 25.0 104.835 173.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -141.97 167.38 22.28 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.079 -1.082 . . . . 50.0 108.079 179.417 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.84 -33.45 66.78 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 112.244 0.461 . . . . 50.0 112.244 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -66.22 -40.22 90.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.173 0.511 . . . . 50.0 111.082 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -69.98 -39.52 75.91 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.869 -0.789 . . . . 50.0 108.869 178.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.6 mt -60.89 -37.03 80.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.631 -0.713 . . . . 50.0 112.213 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.77 -35.3 68.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.34 0.496 . . . . 50.0 112.34 177.036 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -65.55 -26.9 68.09 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.435 0.902 . . . . 50.0 113.435 -177.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -68.95 -20.96 64.21 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.141 -0.349 . . . . 50.0 110.96 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.6 m -82.31 152.22 26.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.279 -0.637 . . . . 50.0 109.279 -179.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 t30 . . . . . 0 C--O 1.213 -0.864 0 CA-C-O 124.509 2.1 . . . . 50.0 111.75 178.282 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.9 t80 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 72.4 t -128.23 131.14 69.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 105.802 -1.925 . . . . 25.0 105.802 179.123 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -89.45 141.21 28.77 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 111.962 0.356 . . . . 50.0 111.962 -177.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.39 164.53 32.31 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 104.479 -2.415 . . . . 50.0 104.479 170.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.544 ' HD1' ' C ' ' A' ' 9' ' ' SER . 43.7 m-70 -61.1 125.91 25.43 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.811 -1.086 . . . . 50.0 110.275 176.891 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.52 120.78 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 123.736 0.815 . . . . 50.0 111.194 -177.1 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -142.85 158.85 43.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.522 -0.918 . . . . 50.0 108.522 177.65 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.86 -139.14 46.44 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.009 178.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -60.43 -28.64 68.44 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.868 0.692 . . . . 25.0 112.868 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -62.84 -36.63 83.86 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.661 -0.649 . . . . 50.0 110.623 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.26 -41.86 84.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.434 -0.58 . . . . 50.0 109.434 -179.423 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.72 -44.78 98.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.039 -0.528 . . . . 25.0 110.986 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -67.91 -28.25 67.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.689 -0.632 . . . . 50.0 111.814 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.59 -38.52 70.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 177.131 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.56 -35.28 80.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.476 -0.329 . . . . 50.0 111.828 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -57.01 -41.64 78.85 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 110.356 -0.239 . . . . 25.0 110.356 176.009 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.01 -43.87 64.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.274 0.842 . . . . 50.0 113.274 -179.064 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -73.96 -41.8 52.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.002 0.429 . . . . 50.0 111.534 -173.312 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -16.88 33.88 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.733 -0.787 . . . . 50.0 111.32 179.382 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.81 -147.07 50.27 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.404 -0.903 . . . . 25.0 112.973 176.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.3 mp0 -68.27 -8.01 35.73 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.398 0.888 . . . . 50.0 113.398 -177.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -70.94 -22.66 62.19 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.603 0.239 . . . . 50.0 110.598 178.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.24 176.7 51.14 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.287 -0.725 . . . . 50.0 111.287 -177.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -162.3 178.86 8.32 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 -177.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -136.27 164.63 27.64 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.68 -1.23 . . . . 50.0 107.68 174.332 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.3 t80 . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 105.232 -2.136 . . . . 25.0 105.232 177.089 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.225 -0.23 0 CA-C-O 120.55 0.214 . . . . 50.0 110.6 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -63.55 -44.84 93.02 Favored 'General case' 0 CA--C 1.51 -0.572 0 O-C-N 121.971 -0.456 . . . . 25.0 110.831 179.152 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -59.32 -39.56 83.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.149 0.281 . . . . 50.0 110.895 -175.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.8 m -80.03 -29.18 39.27 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.956 0.354 . . . . 50.0 111.956 -178.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.1 t -71.95 -48.43 45.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.911 0.386 . . . . 50.0 110.281 -179.267 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -88.06 -19.6 26.89 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 114.348 1.24 . . . . 25.0 114.348 -176.015 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.528 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 7.2 t -141.51 -174.75 4.13 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 121.751 -0.593 . . . . 50.0 110.942 -177.799 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.65 117.15 32.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 121.669 -0.644 . . . . 50.0 110.908 -170.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 m -98.76 108.06 20.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 172.509 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -73.35 168.65 18.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.933 -1.506 . . . . 50.0 106.933 174.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -52.85 -30.42 33.58 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 113.737 1.014 . . . . 50.0 113.737 -177.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.38 -38.54 90.34 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.225 0.536 . . . . 50.0 111.755 -179.492 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -74.58 -38.37 62.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.609 0.719 . . . . 50.0 109.464 178.313 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.28 -34.91 79.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.377 -0.828 . . . . 50.0 112.5 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -53.11 -28.76 27.06 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.202 0.815 . . . . 50.0 113.202 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -61.57 -26.92 68.26 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.811 1.041 . . . . 50.0 113.811 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -71.88 -6.63 43.18 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.287 0.565 . . . . 50.0 111.051 179.042 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 m -110.55 140.76 44.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.883 -1.155 . . . . 50.0 107.883 -177.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 114.39 1.256 . . . . 50.0 114.39 -175.699 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.3 t80 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 119.019 -0.515 . . . . 25.0 109.781 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.72 121.92 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -73.49 130.25 39.69 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.171 0.51 . . . . 50.0 110.593 -178.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -160.08 151.98 20.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 104.672 -2.344 . . . . 50.0 104.672 174.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.528 ' HD1' ' C ' ' A' ' 9' ' ' SER . 69.2 m-70 -72.74 143.86 47.84 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.747 -1.575 . . . . 50.0 106.747 168.316 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.09 111.41 17.42 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.624 0.37 . . . . 50.0 110.99 -177.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.21 153.35 42.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.452 -0.944 . . . . 50.0 108.452 178.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.34 -143.24 48.54 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.558 -0.829 . . . . 25.0 111.719 -179.398 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.6 t -59.8 -29.15 68.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.639 0.607 . . . . 25.0 112.639 179.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -36.65 75.96 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.625 -0.672 . . . . 50.0 110.762 178.373 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp -68.17 -44.08 76.77 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 110.297 -0.26 . . . . 50.0 110.297 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.54 -44.92 99.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.121 0.486 . . . . 25.0 110.822 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -67.46 -30.76 70.57 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.174 -0.329 . . . . 50.0 111.673 -178.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.35 79.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.923 -0.486 . . . . 25.0 110.028 178.01 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.09 -31.78 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.49 0.552 . . . . 50.0 112.49 -177.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -59.21 -41.17 87.95 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 174.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.0 mt -71.8 -44.92 63.14 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.711 0.634 . . . . 50.0 112.711 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.3 -44.83 77.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.813 -0.63 . . . . 50.0 112.367 -171.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 94.8 m -94.9 -8.79 36.15 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.568 -0.453 . . . . 50.0 111.214 -178.155 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.86 -145.18 45.98 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-O 122.395 0.997 . . . . 25.0 113.661 174.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -68.96 -6.94 30.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 115.646 1.721 . . . . 50.0 115.646 -175.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -74.84 -15.38 60.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.276 0.944 . . . . 50.0 111.542 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.87 175.9 51.04 Favored Glycine 0 CA--C 1.517 0.172 0 N-CA-C 111.634 -0.587 . . . . 50.0 111.634 -177.133 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -164.62 176.52 8.82 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 -177.607 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -132.96 168.97 17.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.274 -1.38 . . . . 50.0 107.274 173.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--N 1.32 -0.691 0 N-CA-C 107.499 -1.296 . . . . 25.0 107.499 178.396 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 120.992 0.425 . . . . 50.0 110.052 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -65.78 -43.2 89.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.778 -0.453 . . . . 25.0 109.778 178.41 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.01 -41.23 97.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.373 -0.376 . . . . 50.0 110.501 -179.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.5 m -72.68 -28.06 62.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.477 0.547 . . . . 50.0 112.477 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -72.08 -45.04 62.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.253 -0.43 . . . . 50.0 110.436 178.337 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -87.76 -19.68 27.22 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -175.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.565 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 62.1 p -137.16 179.0 6.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.702 -0.624 . . . . 50.0 110.576 -177.756 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -74.84 115.42 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.829 0.823 . . . . 50.0 109.282 -170.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 t -88.46 75.73 8.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.995 -1.002 . . . . 25.0 108.298 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 m -64.82 168.39 6.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.617 -0.72 . . . . 50.0 110.481 -179.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.85 -27.89 45.79 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 113.641 0.978 . . . . 50.0 113.641 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -67.67 -38.1 83.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.19 0.519 . . . . 50.0 110.89 178.249 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -71.32 -38.72 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.373 -0.973 . . . . 50.0 108.373 178.469 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.02 -34.56 78.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.623 -0.717 . . . . 50.0 112.082 179.514 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.35 -26.61 65.21 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 122.071 -0.393 . . . . 50.0 111.935 176.6 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.69 -27.0 62.74 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 122.028 -0.42 . . . . 50.0 111.614 178.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -79.06 -28.13 43.15 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.836 -0.802 . . . . 50.0 108.836 175.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 t -75.19 95.49 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.831 -1.077 . . . . 50.0 112.331 -170.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 C--O 1.213 -0.847 0 CA-C-O 124.521 2.105 . . . . 50.0 111.419 -179.997 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.2 t80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 119.016 -0.516 . . . . 25.0 109.766 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.2 t -120.93 126.97 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.32 125.74 29.6 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 120.145 -0.622 . . . . 50.0 110.936 -178.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -160.28 153.71 22.2 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 104.283 -2.488 . . . . 50.0 104.283 173.213 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.565 ' HD1' ' C ' ' A' ' 9' ' ' SER . 62.2 m-70 -68.51 144.71 54.52 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.584 -1.636 . . . . 50.0 106.584 171.537 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.3 mt -129.57 117.51 20.55 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.562 -0.533 . . . . 50.0 109.562 -176.002 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -132.94 -55.8 0.93 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.322 0.86 . . . . 50.0 113.322 -174.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.61 -145.57 5.69 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 111.599 -0.601 . . . . 25.0 111.599 178.011 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -21.05 7.16 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.282 1.215 . . . . 25.0 114.282 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -55.85 -35.35 66.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.914 0.339 . . . . 50.0 111.914 173.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.92 -42.6 89.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.176 0.512 . . . . 50.0 109.804 -178.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.47 -41.74 83.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.429 179.316 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.0 -34.24 77.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.842 0.354 . . . . 50.0 110.99 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.44 -33.45 62.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.662 -0.245 . . . . 25.0 110.689 179.561 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.73 -32.72 74.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 119.638 -0.22 . . . . 50.0 111.518 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -58.89 -38.22 78.36 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.843 -0.343 . . . . 25.0 110.55 175.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -71.84 -42.63 66.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.501 0.556 . . . . 50.0 112.501 -179.411 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.27 -42.48 50.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.151 -0.477 . . . . 50.0 110.256 -174.358 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -78.44 -25.42 45.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.541 -0.3 . . . . 50.0 111.548 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.64 -141.96 46.04 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.091 -1.052 . . . . 25.0 110.953 -177.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -69.88 -9.34 54.52 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.145 1.535 . . . . 50.0 115.145 -178.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -73.2 -18.43 61.25 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.44 1.018 . . . . 50.0 111.438 -177.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.11 174.87 43.78 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.267 -0.492 . . . . 50.0 112.933 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -167.6 176.17 6.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.323 -2.103 . . . . 25.0 105.323 -179.723 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -137.81 163.14 32.14 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.092 -1.818 . . . . 50.0 106.092 172.224 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.6 t80 . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 177.599 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.409 ' HA ' ' HH ' ' A' ' 19' ' ' TYR . 46.3 t . . . . . 0 C--O 1.22 -0.451 0 N-CA-C 111.596 0.221 . . . . 50.0 111.596 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -70.71 -28.68 64.92 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.054 -0.658 . . . . 25.0 109.728 -179.095 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -61.83 -44.21 97.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.625 -0.261 . . . . 50.0 110.342 177.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.3 m -83.24 -17.69 41.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.934 0.397 . . . . 50.0 112.036 179.591 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.7 t -73.93 -44.33 55.39 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.692 -0.484 . . . . 50.0 109.692 176.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -88.13 -26.57 22.4 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.142 0.793 . . . . 25.0 113.142 -178.014 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.549 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 63.1 m -126.0 172.07 10.26 Favored 'General case' 0 C--O 1.204 -1.32 0 O-C-N 122.057 -0.402 . . . . 50.0 110.874 -178.611 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.84 -43.39 86.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 N-CA-C 115.035 1.494 . . . . 50.0 115.035 -164.189 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 m 55.17 89.83 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.007 0.908 . . . . 25.0 112.82 -173.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.2 p -65.12 168.18 7.04 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 175.441 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.64 -28.09 30.92 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.956 1.095 . . . . 50.0 113.956 -177.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -67.5 -36.24 80.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.236 0.541 . . . . 50.0 111.596 179.154 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -73.9 -38.93 64.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.72 -0.844 . . . . 50.0 108.72 177.076 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.22 -32.15 73.48 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.781 -0.645 . . . . 50.0 112.408 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.76 -25.76 20.41 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.225 0.824 . . . . 50.0 113.225 177.204 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -63.72 -26.94 68.88 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.703 0.631 . . . . 50.0 112.703 178.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' HH ' ' HA ' ' A' ' 3' ' ' VAL . 78.4 m-85 -78.76 -12.42 60.02 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.246 0.461 . . . . 50.0 112.246 179.077 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.38 148.05 50.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.586 0.707 . . . . 50.0 112.04 -170.046 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.207 -1.138 0 CA-C-O 124.365 2.031 . . . . 50.0 113.335 -177.837 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 119.078 -0.487 . . . . 25.0 109.769 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 82.0 t -123.22 122.75 66.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.543 -1.651 . . . . 25.0 106.543 179.106 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.24 126.28 29.05 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.081 0.467 . . . . 50.0 111.111 -177.198 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -159.88 148.17 17.17 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.628 -2.36 . . . . 50.0 104.628 176.186 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.549 ' HD1' ' C ' ' A' ' 9' ' ' SER . 60.9 m-70 -66.8 143.19 57.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.132 -1.062 . . . . 50.0 108.132 171.612 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.05 105.27 12.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.423 0.63 . . . . 50.0 111.016 -175.515 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -139.95 152.92 46.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.617 -0.883 . . . . 50.0 108.617 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.5 -142.51 48.0 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.601 -0.809 . . . . 25.0 111.545 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -27.85 66.69 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 179.447 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -61.93 -35.04 77.25 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.958 -0.464 . . . . 50.0 111.142 179.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.1 tp -65.44 -44.45 87.27 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 109.626 -0.509 . . . . 50.0 109.626 178.139 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.08 -42.84 98.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.132 0.491 . . . . 25.0 110.494 -179.358 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.18 -36.33 83.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.04 0.448 . . . . 50.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.82 68.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.919 0.39 . . . . 25.0 110.266 -178.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.04 -29.46 69.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.577 0.584 . . . . 50.0 112.577 -177.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.86 -37.4 81.98 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.622 -0.431 . . . . 25.0 110.146 174.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.82 -43.02 66.29 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.288 0.477 . . . . 50.0 112.288 179.635 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.3 t -71.78 -43.9 69.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 50.0 110.603 -174.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -80.25 -24.71 39.95 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.596 -0.441 . . . . 50.0 111.773 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.54 -137.21 50.04 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 109.649 -1.381 . . . . 25.0 109.649 -176.271 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.47 -8.81 53.9 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.494 1.294 . . . . 50.0 114.494 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -70.02 -26.75 64.2 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.778 -0.576 . . . . 50.0 112.479 -178.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.93 170.74 36.23 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.776 -0.726 . . . . 50.0 112.828 -177.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -160.7 176.71 11.22 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.414 -2.069 . . . . 25.0 105.414 -177.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -137.16 163.15 31.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.823 -1.547 . . . . 50.0 106.823 175.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.8 t80 . . . . . 0 C--N 1.321 -0.645 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 178.746 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 121.082 0.468 . . . . 50.0 110.088 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -63.89 -45.72 88.1 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 178.069 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -65.37 -39.24 92.05 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.639 -0.255 . . . . 50.0 111.214 179.188 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 m -69.93 -34.32 73.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.503 0.557 . . . . 50.0 112.503 -178.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.9 m -74.76 -47.77 29.25 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.95 0.352 . . . . 50.0 111.95 178.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -88.06 -19.41 27.13 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -174.337 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.595 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 8.4 t -139.36 -174.44 3.87 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.905 -0.776 . . . . 50.0 108.905 -177.208 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm -74.92 116.83 18.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 121.452 -0.78 . . . . 50.0 111.461 -167.594 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -87.23 82.15 7.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 175.202 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.9 p -69.97 169.36 13.45 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.766 -0.827 . . . . 50.0 108.766 -178.457 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.46 -28.59 63.49 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 120.588 0.232 . . . . 50.0 111.561 179.303 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -69.82 -38.27 76.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.213 0.53 . . . . 50.0 111.114 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.4 -41.18 76.75 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.558 -0.905 . . . . 50.0 108.558 177.367 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.84 -36.58 83.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 50.0 111.983 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -57.69 -28.96 64.27 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.922 0.712 . . . . 50.0 112.922 178.615 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -70.72 -26.94 63.62 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.546 0.572 . . . . 50.0 112.546 179.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.03 -17.01 48.28 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.789 0.804 . . . . 50.0 109.67 177.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.1 158.68 20.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 122.474 1.131 . . . . 50.0 113.994 -166.193 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.2 t30 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 124.846 2.26 . . . . 50.0 110.695 174.146 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.3 t80 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 119.112 -0.47 . . . . 25.0 109.828 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.7 t -119.23 129.12 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 107.361 -1.348 . . . . 25.0 107.361 179.747 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -73.13 132.88 43.81 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.376 0.132 . . . . 50.0 110.74 -179.317 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -160.42 149.21 16.94 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.704 0.764 . . . . 50.0 108.982 178.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.595 ' HD1' ' C ' ' A' ' 9' ' ' SER . 67.8 m-70 -73.91 125.26 27.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.664 -1.153 . . . . 50.0 108.247 172.049 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.9 118.56 28.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.622 0.601 . . . . 50.0 112.622 -176.002 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -138.48 159.14 42.84 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.197 -1.038 . . . . 50.0 108.197 177.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.92 -138.38 49.61 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.872 -0.68 . . . . 25.0 112.74 178.006 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.3 p -60.97 -28.7 69.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.004 0.742 . . . . 25.0 113.004 -179.465 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -63.14 -35.84 81.61 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.627 -0.671 . . . . 50.0 110.703 178.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.29 -42.23 88.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.416 -0.587 . . . . 50.0 109.416 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -64.2 -44.86 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.894 179.228 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -65.52 -30.85 71.66 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.78 -0.575 . . . . 50.0 111.997 -178.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -35.47 74.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.87 0.367 . . . . 25.0 110.592 179.144 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.9 -29.1 69.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.115 0.783 . . . . 50.0 113.115 -177.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -59.41 -39.72 84.37 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 176.179 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.3 mt -71.35 -41.52 69.66 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.45 0.537 . . . . 50.0 112.45 -177.751 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.59 -36.89 42.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 50.0 110.186 -174.372 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -82.48 -28.25 31.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.014 -0.675 . . . . 50.0 112.493 178.785 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.92 -135.43 51.99 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 109.772 -1.331 . . . . 25.0 109.772 -175.463 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -68.23 -10.13 52.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 114.552 1.316 . . . . 50.0 114.552 -179.011 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -68.33 -24.68 64.85 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.034 0.753 . . . . 50.0 113.034 -178.455 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.26 170.58 23.63 Favored Glycine 0 C--O 1.221 -0.682 0 N-CA-C 109.697 -1.361 . . . . 50.0 109.697 -174.284 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -157.51 174.98 14.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -134.19 165.04 26.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.697 -1.594 . . . . 50.0 106.697 178.164 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.8 t80 . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 177.033 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 121.526 0.679 . . . . 50.0 109.892 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.46 -41.28 96.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 25.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -63.84 -41.92 97.72 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.583 -0.447 . . . . 50.0 110.299 -179.461 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.6 m -75.26 -16.75 60.43 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.163 0.431 . . . . 50.0 112.163 -179.063 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -82.52 -44.56 15.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.387 -0.37 . . . . 50.0 110.446 176.681 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 t -83.66 -26.85 29.53 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -176.442 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.48 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 87.8 p -134.01 -179.45 5.56 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.357 -0.979 . . . . 50.0 108.357 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.76 115.14 38.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.297 -1.001 . . . . 50.0 108.297 -177.648 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.5 m -78.1 117.07 19.04 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 174.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -66.37 163.14 18.85 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.797 -1.186 . . . . 50.0 107.797 175.116 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.26 -33.29 52.44 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 -178.377 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -63.51 -38.04 89.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.382 0.611 . . . . 50.0 112.269 179.44 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -73.6 -38.13 65.22 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 178.044 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.2 -33.96 76.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 50.0 112.406 179.478 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.67 -23.33 27.74 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.431 0.9 . . . . 50.0 113.431 177.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -63.48 -26.78 68.88 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.867 0.691 . . . . 50.0 112.867 178.346 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -73.95 -10.74 59.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.064 0.459 . . . . 50.0 111.108 179.14 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.1 m -97.42 132.97 42.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.159 0.98 . . . . 50.0 110.409 -175.32 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.214 -0.778 0 CA-C-O 124.942 2.306 . . . . 50.0 112.317 179.707 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.1 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 119.092 -0.48 . . . . 25.0 109.733 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.93 122.23 53.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.8 107.67 12.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 121.407 0.622 . . . . 50.0 111.071 -178.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -147.07 143.85 28.65 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 104.298 -2.482 . . . . 50.0 104.298 174.187 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 65.5 m-70 -65.6 145.0 56.6 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.143 -0.688 . . . . 50.0 109.143 175.4 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.94 112.43 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.22 0.822 . . . . 50.0 113.22 -172.148 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 73.3 m -130.14 153.33 48.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.079 -0.711 . . . . 50.0 109.079 173.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.42 -136.73 46.34 Favored Glycine 0 C--O 1.228 -0.256 0 C-N-CA 120.941 -0.647 . . . . 25.0 113.444 175.542 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -27.11 65.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 179.877 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -64.82 -35.27 80.56 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.972 -0.455 . . . . 50.0 110.186 177.656 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 tp -69.64 -42.84 73.73 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.75 -0.463 . . . . 50.0 109.75 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.71 -43.07 96.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.593 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.87 -33.87 77.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.96 -0.462 . . . . 50.0 111.165 178.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.33 85.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.086 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 99.0 mt -65.69 -34.71 78.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.018 0.377 . . . . 50.0 112.018 -179.472 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -60.32 -38.09 82.65 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 110.398 -0.223 . . . . 25.0 110.398 175.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.96 -44.28 63.81 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.829 0.677 . . . . 50.0 112.829 178.533 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -68.58 -44.93 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.885 -173.046 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.9 m -100.77 -6.1 25.42 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.183 0.438 . . . . 50.0 112.183 -177.067 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.07 -148.95 45.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 119.843 -1.17 . . . . 25.0 113.069 176.007 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.86 -6.18 36.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 115.384 1.624 . . . . 50.0 115.384 -177.069 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -72.03 -15.33 62.03 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.318 0.963 . . . . 50.0 111.286 -178.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.98 176.48 50.03 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-O 121.605 0.558 . . . . 50.0 113.006 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -165.87 179.98 5.59 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 103.727 -2.694 . . . . 25.0 103.727 -178.3 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -134.99 164.52 27.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.076 -0.712 . . . . 50.0 109.076 177.561 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 t80 . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 179.039 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--O 1.219 -0.549 0 N-CA-C 109.602 -0.518 . . . . 50.0 109.602 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -64.83 -37.84 88.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.333 -0.394 . . . . 25.0 110.663 179.858 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -61.75 -45.21 94.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.746 0.248 . . . . 50.0 110.894 178.128 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.2 m -73.15 -26.2 61.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.861 0.362 . . . . 50.0 111.654 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -75.22 -47.86 26.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.409 -0.36 . . . . 50.0 111.133 -179.196 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -87.19 -19.49 28.33 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.504 0.927 . . . . 25.0 113.504 -173.814 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.481 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 64.1 m -144.31 178.25 8.05 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.41 -0.959 . . . . 50.0 108.41 -179.886 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.78 108.22 20.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.289 -1.004 . . . . 50.0 108.289 -176.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -83.83 143.85 29.66 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 174.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.2 p -79.77 170.3 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.172 -0.33 . . . . 50.0 110.163 -176.537 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.7 -28.09 68.38 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 120.612 0.244 . . . . 50.0 111.634 178.665 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.46 -39.07 74.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.257 0.551 . . . . 50.0 109.719 179.294 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -68.25 -37.49 80.81 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.006 -0.739 . . . . 50.0 109.006 177.404 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.36 -36.66 80.83 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 116.018 -0.537 . . . . 50.0 111.825 176.214 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -63.85 -14.19 51.09 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.369 1.248 . . . . 50.0 114.369 178.765 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -64.37 -26.8 68.63 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.679 -0.638 . . . . 50.0 111.336 173.276 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -72.37 -11.81 60.85 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.356 -0.215 . . . . 50.0 111.47 178.734 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.0 m -67.37 143.09 56.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.334 -0.988 . . . . 50.0 108.334 179.605 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 t30 . . . . . 0 C--O 1.209 -1.034 0 CA-C-O 124.39 2.043 . . . . 50.0 113.413 -178.205 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.4 t80 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -84.53 142.12 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 -178.756 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -79.57 135.7 36.67 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.002 -0.679 . . . . 50.0 110.172 178.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -160.14 148.31 16.82 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 104.243 -2.503 . . . . 50.0 104.243 169.671 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.481 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.6 m-70 -71.56 140.75 49.97 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.659 -1.237 . . . . 50.0 107.659 171.391 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.28 105.44 12.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.703 -0.48 . . . . 50.0 109.703 -177.237 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 t -139.97 152.32 46.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.374 -0.972 . . . . 50.0 108.374 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.24 -140.19 48.09 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.64 -0.79 . . . . 25.0 111.157 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -59.55 -29.48 67.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -35.02 76.76 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.999 -0.438 . . . . 50.0 111.065 179.762 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.07 -45.38 81.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.668 -0.493 . . . . 50.0 109.668 178.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.15 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.008 0.432 . . . . 25.0 110.827 -179.405 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.28 -36.3 83.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.951 0.405 . . . . 50.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.36 70.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.976 0.417 . . . . 25.0 109.882 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.44 -32.61 74.1 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.969 0.729 . . . . 50.0 112.969 -177.225 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -58.42 -42.86 88.2 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.731 -0.388 . . . . 25.0 110.311 175.718 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.87 -45.56 60.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.012 0.745 . . . . 50.0 113.012 179.538 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -69.85 -39.46 77.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-O 121.49 0.662 . . . . 50.0 111.575 -173.239 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -88.67 -23.84 22.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.057 -0.52 . . . . 50.0 111.526 -179.456 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.85 -150.92 51.94 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.007 -1.092 . . . . 25.0 111.316 -177.129 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.35 -6.4 24.1 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.672 1.36 . . . . 50.0 114.672 -178.566 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -66.39 -23.61 66.35 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.79 0.663 . . . . 50.0 112.79 -177.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.59 152.62 13.61 Favored Glycine 0 C--O 1.228 -0.267 0 CA-C-O 121.831 0.684 . . . . 50.0 112.824 179.131 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -151.25 174.38 13.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 -174.106 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -126.81 164.3 21.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.119 -0.697 . . . . 50.0 109.119 178.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--N 1.321 -0.641 0 N-CA-C 106.526 -1.657 . . . . 25.0 106.526 177.752 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 120.978 0.418 . . . . 50.0 111.232 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -71.74 -28.73 63.86 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.515 -0.74 . . . . 25.0 110.539 -179.407 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -56.46 -36.33 68.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.968 0.413 . . . . 50.0 111.065 -178.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.1 m -100.8 -11.96 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.272 0.841 . . . . 50.0 113.272 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t -95.65 -45.36 7.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.456 0.91 . . . . 50.0 113.456 -176.433 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 t -75.49 -18.96 59.68 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.171 0.51 . . . . 25.0 111.368 -175.235 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.6 t -150.08 -168.98 3.26 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.5 -1.667 . . . . 50.0 106.5 177.434 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mt -106.87 101.02 11.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.196 0.522 . . . . 50.0 109.691 -172.215 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 p -77.14 150.41 35.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 177.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.4 p -87.33 169.71 12.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.566 -0.288 . . . . 50.0 110.362 -177.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.35 -27.97 67.8 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.952 0.406 . . . . 50.0 111.289 177.085 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -68.5 -36.37 78.81 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 121.471 0.653 . . . . 50.0 110.354 179.08 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -71.03 -38.18 72.58 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.983 -0.747 . . . . 50.0 108.983 177.201 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.52 -33.24 73.49 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 112.477 0.547 . . . . 50.0 112.477 178.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -55.68 -27.79 52.07 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.234 0.827 . . . . 50.0 113.234 177.84 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.01 -26.99 67.79 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.813 0.671 . . . . 50.0 112.813 178.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -80.06 -8.28 59.3 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.743 0.417 . . . . 50.0 111.281 -175.681 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.7 m -73.57 150.45 41.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.909 0.861 . . . . 50.0 111.455 -174.71 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.207 -1.155 0 CA-C-O 123.176 1.465 . . . . 50.0 112.487 -179.381 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.9 t80 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.79 139.44 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 -178.782 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -80.92 137.86 36.13 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.407 0.622 . . . . 50.0 110.037 179.137 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -159.94 146.59 16.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.477 -2.046 . . . . 50.0 105.477 173.375 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 83.6 m-70 -69.06 140.5 54.89 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 105.97 -1.863 . . . . 50.0 105.97 167.589 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 85.5 mt -120.3 105.31 10.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.287 0.565 . . . . 50.0 111.254 -174.668 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 18.1 m -126.25 145.16 50.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.167 -0.679 . . . . 50.0 109.167 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.17 -132.47 50.91 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.572 -0.823 . . . . 25.0 113.294 176.485 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -27.27 65.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -62.98 -40.69 98.5 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.589 -0.694 . . . . 50.0 109.651 177.294 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.28 -42.78 87.93 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.694 -0.484 . . . . 50.0 109.694 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.62 -45.51 94.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.032 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -66.62 -33.63 76.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.883 -0.511 . . . . 50.0 111.67 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.41 73.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 179.507 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 mt -66.49 -31.05 71.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.165 0.802 . . . . 50.0 113.165 -177.697 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -57.28 -41.63 80.1 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.751 -0.38 . . . . 25.0 109.998 175.778 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -72.06 -44.8 62.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.212 0.819 . . . . 50.0 113.212 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.96 -40.55 68.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.45 . . . . 50.0 110.767 -173.529 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -84.74 -22.93 29.5 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.591 -0.444 . . . . 50.0 111.949 -178.714 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.19 -140.16 48.17 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.022 -1.085 . . . . 25.0 111.771 -177.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -67.86 -10.05 49.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.044 1.127 . . . . 50.0 114.044 -177.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.24 -17.93 62.47 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.076 -0.39 . . . . 50.0 111.856 -179.409 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.0 177.56 29.27 Favored Glycine 0 N--CA 1.452 -0.284 0 N-CA-C 110.794 -0.923 . . . . 50.0 110.794 -177.161 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -161.46 177.8 9.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 -177.076 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -129.8 162.85 27.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.222 -0.659 . . . . 50.0 109.222 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.323 -0.578 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 179.424 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 121.267 0.556 . . . . 50.0 111.056 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -68.65 -31.25 70.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.409 -0.36 . . . . 25.0 111.424 -177.182 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -56.53 -38.79 72.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.462 . . . . 50.0 110.526 -179.149 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -97.19 -21.83 17.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.825 0.676 . . . . 50.0 112.825 -178.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -87.56 -47.1 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.483 0.92 . . . . 50.0 113.483 -176.236 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -84.99 -17.75 36.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.376 -0.53 . . . . 25.0 110.921 -176.673 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.479 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 27.6 p -146.0 176.99 9.29 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 -178.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mm -89.21 131.19 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 106.93 -1.507 . . . . 50.0 106.93 -175.89 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -114.44 151.74 32.7 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.138 -1.801 . . . . 25.0 106.138 173.886 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -85.81 169.08 13.69 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.89 -0.411 . . . . 50.0 109.89 -177.836 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.44 -28.12 69.58 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 120.738 0.304 . . . . 50.0 110.974 178.336 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -68.51 -37.21 79.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.466 0.65 . . . . 50.0 110.193 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -69.18 -33.61 73.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.284 176.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.53 -34.2 77.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.273 -0.422 . . . . 50.0 111.554 176.823 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -56.76 -30.37 63.53 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.86 -0.525 . . . . 50.0 112.1 178.204 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.32 -26.96 68.15 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.092 0.775 . . . . 50.0 113.092 -179.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -68.02 -23.78 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.145 -0.347 . . . . 50.0 110.576 -178.49 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m -84.89 52.97 2.56 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.561 0.696 . . . . 50.0 110.339 179.414 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.215 -0.756 0 CA-C-O 124.718 2.199 . . . . 50.0 111.956 -178.512 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.9 t -109.14 130.83 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 107.874 -1.158 . . . . 25.0 107.874 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -72.8 129.22 37.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.621 0.724 . . . . 50.0 110.432 178.47 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -160.3 145.82 15.05 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 104.197 -2.52 . . . . 50.0 104.197 174.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.479 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 75.9 m-70 -64.57 141.68 58.69 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.532 -0.914 . . . . 50.0 108.532 172.847 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.11 108.21 14.42 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 123.208 0.603 . . . . 50.0 111.388 -176.262 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 m -127.83 149.37 50.31 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.323 -0.991 . . . . 50.0 108.323 177.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.04 -136.08 48.62 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.725 -0.75 . . . . 25.0 113.158 177.768 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -26.46 65.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.822 1.045 . . . . 25.0 113.822 179.7 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -32.61 73.73 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.504 -0.747 . . . . 50.0 110.327 178.144 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.41 -40.71 73.7 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 120.844 0.354 . . . . 50.0 110.205 178.109 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.07 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.108 0.48 . . . . 25.0 110.303 178.71 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -69.51 -27.27 65.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.768 -0.582 . . . . 50.0 112.273 -178.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.76 -42.05 74.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 175.878 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.27 -33.44 75.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.266 -0.425 . . . . 50.0 111.913 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -55.12 -43.98 74.57 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 120.897 0.38 . . . . 25.0 110.151 175.13 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -71.92 -42.83 66.23 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.081 0.771 . . . . 50.0 113.081 -179.041 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -71.63 -43.91 70.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 50.0 111.653 -173.435 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.68 -15.99 33.46 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.739 -0.784 . . . . 50.0 111.233 179.791 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.24 -150.3 50.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.532 -0.842 . . . . 25.0 113.376 174.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -67.82 -6.39 21.15 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -178.4 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -70.18 -20.8 63.1 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.017 -0.427 . . . . 50.0 110.441 178.176 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.59 171.85 48.5 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.32 -0.712 . . . . 50.0 111.32 -178.363 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -166.37 177.74 6.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.977 -2.231 . . . . 25.0 104.977 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -137.51 164.03 29.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.852 -1.536 . . . . 50.0 106.852 171.464 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 t80 . . . . . 0 C--N 1.321 -0.654 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 177.391 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 112.941 0.719 . . . . 50.0 112.941 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -66.48 -34.2 77.4 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 121.396 -0.815 . . . . 25.0 111.49 -176.365 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -58.84 -32.0 69.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.378 0.423 . . . . 50.0 111.88 -176.12 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.6 m -99.94 -26.24 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.178 0.436 . . . . 50.0 112.178 178.013 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.7 t -75.0 -48.37 24.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.321 0.489 . . . . 50.0 112.321 -177.055 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -88.09 -18.95 27.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 -175.063 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.499 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 21.8 p -144.29 174.12 11.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.25 -0.281 . . . . 50.0 111.038 -175.842 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.1 mm -80.8 135.73 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.471 -1.678 . . . . 50.0 106.471 -174.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 p -129.98 156.53 44.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 175.534 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -110.72 173.8 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.953 -0.388 . . . . 50.0 109.953 -175.515 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.38 -28.65 67.08 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.109 0.411 . . . . 50.0 112.109 179.382 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -68.95 -36.73 78.28 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 121.478 0.656 . . . . 50.0 110.085 179.441 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -74.76 -33.8 62.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.905 -0.589 . . . . 50.0 110.291 177.164 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.48 -32.06 73.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.53 . . . . 50.0 111.365 177.28 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.61 -24.34 55.88 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 112.796 0.665 . . . . 50.0 112.796 177.055 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -68.13 -26.98 66.06 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.552 0.575 . . . . 50.0 112.552 178.664 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.48 -26.0 59.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.611 -0.885 . . . . 50.0 108.611 179.454 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.68 128.71 36.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.46 -1.311 . . . . 50.0 107.46 -179.315 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.209 -1.028 0 CA-C-O 122.757 1.265 . . . . 50.0 112.566 -175.85 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.995 -0.526 . . . . 25.0 109.641 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.7 p -138.16 137.78 43.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 106.181 -1.785 . . . . 25.0 106.181 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -75.83 127.41 32.95 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.24 0.543 . . . . 50.0 110.717 -178.001 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -160.27 153.06 21.27 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 104.137 -2.542 . . . . 50.0 104.137 173.264 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.499 ' HD1' ' C ' ' A' ' 9' ' ' SER . 65.7 m-70 -66.89 139.83 57.75 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 105.59 -2.004 . . . . 50.0 105.59 169.765 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -120.33 110.97 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.403 -0.962 . . . . 50.0 108.403 -176.553 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -146.6 161.94 39.47 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.901 -1.518 . . . . 50.0 106.901 -178.067 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.31 -142.84 48.28 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 110.016 -1.234 . . . . 25.0 110.016 -177.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.28 -31.73 69.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -60.9 -34.25 74.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.903 -0.498 . . . . 50.0 111.736 -179.049 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -69.35 -48.53 61.05 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.32 -0.552 . . . . 50.0 110.834 -179.384 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.1 -32.82 57.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 120.22 -0.592 . . . . 25.0 110.262 -177.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.2 -40.32 94.04 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.986 -0.446 . . . . 50.0 110.479 177.292 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.34 84.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.733 0.301 . . . . 25.0 110.231 179.443 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -65.39 -31.29 72.31 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.583 0.586 . . . . 50.0 112.583 -178.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -61.04 -37.98 84.5 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.381 -0.527 . . . . 25.0 110.185 176.03 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.88 -43.15 65.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.404 0.52 . . . . 50.0 112.404 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.1 t -74.6 -42.17 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.002 0.429 . . . . 50.0 111.051 -174.04 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 90.5 m -75.15 -28.42 60.12 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.523 -0.471 . . . . 50.0 109.929 177.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.94 -143.54 48.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.336 -0.935 . . . . 25.0 111.419 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.81 -6.41 26.66 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.169 1.174 . . . . 50.0 114.169 -179.077 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -68.72 -27.77 66.24 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.119 0.418 . . . . 50.0 110.991 178.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.52 171.74 36.85 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.631 -0.988 . . . . 50.0 110.631 -176.062 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -169.8 176.08 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 -178.344 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -132.22 159.82 37.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.177 -2.157 . . . . 50.0 105.177 170.298 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.1 t80 . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -178.074 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 121.446 0.641 . . . . 50.0 109.548 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -63.54 -43.44 97.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 25.0 110.379 178.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -60.61 -43.04 97.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 50.0 110.851 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.3 m -73.94 -26.76 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.99 -0.55 . . . . 50.0 112.465 179.62 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.08 -49.3 29.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.044 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -87.08 -25.27 24.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -174.17 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.563 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 7.6 t -132.43 -178.21 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.75 -0.593 . . . . 50.0 110.538 -178.346 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mm -73.41 120.64 22.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.756 0.789 . . . . 50.0 109.535 -170.232 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.13 85.29 6.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.197 -0.911 . . . . 25.0 109.02 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 m -63.54 159.34 18.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.021 -0.536 . . . . 50.0 110.124 179.608 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.0 -27.99 62.06 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.98 0.733 . . . . 50.0 112.98 -179.766 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -67.57 -36.55 81.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.279 0.562 . . . . 50.0 111.12 178.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -68.63 -40.22 80.4 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 50.0 108.004 177.674 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.32 -36.96 85.44 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.506 -0.77 . . . . 50.0 112.436 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -58.33 -25.05 61.48 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.172 1.175 . . . . 50.0 114.172 -179.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -66.8 -26.89 67.16 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.992 -0.443 . . . . 50.0 112.155 178.858 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -79.44 -8.16 58.92 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.511 0.325 . . . . 50.0 111.605 -178.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.55 147.66 45.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 122.339 1.066 . . . . 50.0 111.52 -173.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.3 t30 . . . . . 0 C--O 1.214 -0.775 0 CA-C-O 124.832 2.253 . . . . 50.0 111.206 178.043 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.2 t80 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 119.033 -0.508 . . . . 25.0 109.756 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -109.58 122.57 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -179.846 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -75.34 128.3 35.09 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.036 0.446 . . . . 50.0 111.313 -177.705 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -160.19 153.36 21.84 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 104.876 -2.268 . . . . 50.0 104.876 173.368 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.563 ' HD1' ' C ' ' A' ' 9' ' ' SER . 65.6 m-70 -68.43 142.76 55.29 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.574 -1.639 . . . . 50.0 106.574 170.511 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.2 110.77 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.582 -0.525 . . . . 50.0 109.582 -176.649 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -133.44 -39.89 0.9 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.608 1.336 . . . . 50.0 114.608 -175.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.65 -143.39 9.22 Favored Glycine 0 N--CA 1.457 0.044 0 N-CA-C 110.783 -0.927 . . . . 25.0 110.783 178.589 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -54.95 -26.66 37.89 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.89 0.476 . . . . 25.0 112.188 177.264 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -52.83 -37.43 60.06 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.897 0.702 . . . . 50.0 112.897 176.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.9 tp -67.12 -43.8 81.51 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.918 0.389 . . . . 50.0 110.181 -177.066 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.43 -40.95 83.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.189 0.518 . . . . 25.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.68 -34.23 77.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 50.0 110.992 -179.324 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.01 -32.43 65.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.981 0.419 . . . . 25.0 110.499 -179.43 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.39 -30.27 70.61 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.357 0.503 . . . . 50.0 112.357 -178.369 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -60.72 -37.73 82.7 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.678 -0.409 . . . . 25.0 109.98 175.677 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.4 mt -71.84 -47.14 55.17 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.599 0.592 . . . . 50.0 112.599 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -76.15 -41.32 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.998 -0.547 . . . . 50.0 111.197 -171.471 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -86.06 -10.9 54.14 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.074 -0.251 . . . . 50.0 111.561 -179.444 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.1 -137.53 23.38 Favored Glycine 0 CA--C 1.519 0.321 0 CA-C-O 122.395 0.997 . . . . 25.0 114.54 176.436 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -72.93 -6.27 44.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.589 1.329 . . . . 50.0 114.589 -178.369 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.6 -18.79 50.84 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.801 -0.562 . . . . 50.0 110.509 -177.326 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.64 172.74 48.58 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.899 -0.88 . . . . 50.0 110.899 -178.687 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -156.76 174.02 16.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -177.208 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -131.08 160.94 33.18 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.435 -1.691 . . . . 50.0 106.435 176.385 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.4 t80 . . . . . 0 C--N 1.32 -0.684 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 179.342 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 119.799 -0.143 . . . . 50.0 110.779 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -70.73 -43.2 69.4 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.405 -0.809 . . . . 25.0 108.998 176.366 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -58.4 -38.35 77.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.35 -0.386 . . . . 50.0 111.287 -179.414 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.0 m -80.66 -33.52 35.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.1 0.778 . . . . 50.0 113.1 177.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.7 t -73.81 -54.39 8.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.864 0.32 . . . . 50.0 111.864 -176.156 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -88.02 -18.72 28.36 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -174.154 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.565 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 14.7 p -137.93 -176.53 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.224 -0.658 . . . . 50.0 109.224 -177.859 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.7 mm -72.34 122.78 25.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.756 0.789 . . . . 50.0 112.225 -166.22 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 t -92.8 96.77 10.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.68 -1.23 . . . . 25.0 107.68 176.625 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.5 p -75.68 167.06 22.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.607 -0.886 . . . . 50.0 108.607 -179.46 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -60.92 -27.86 68.51 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 122.111 -0.368 . . . . 50.0 111.011 178.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -68.98 -37.7 78.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.494 0.664 . . . . 50.0 110.926 178.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -67.52 -38.83 84.83 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.087 -1.079 . . . . 50.0 108.087 176.593 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.51 -36.96 85.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.203 -0.31 . . . . 50.0 111.589 177.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.78 -26.22 67.96 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.499 0.555 . . . . 50.0 112.499 176.899 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.98 -26.78 63.3 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.091 0.404 . . . . 50.0 112.091 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -79.97 -12.37 59.72 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.143 0.497 . . . . 50.0 110.738 177.776 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.38 147.82 49.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.441 0.639 . . . . 50.0 110.641 -171.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.5 t30 . . . . . 0 C--O 1.206 -1.195 0 CA-C-O 124.313 2.006 . . . . 50.0 113.017 -178.849 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 119.015 -0.517 . . . . 25.0 109.794 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.0 p -133.36 143.58 38.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 -179.441 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.04 140.39 52.82 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.273 0.558 . . . . 50.0 111.342 -177.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -160.19 150.78 18.66 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 106.371 -1.715 . . . . 50.0 106.371 172.681 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.565 ' HD1' ' C ' ' A' ' 9' ' ' SER . 66.9 m-70 -70.12 142.25 52.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.46 -2.052 . . . . 50.0 105.46 166.911 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -136.38 118.76 15.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.205 0.526 . . . . 50.0 111.306 -176.594 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.39 158.98 43.2 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.652 -0.87 . . . . 50.0 108.652 -178.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.59 -144.7 47.76 Favored Glycine 0 C--O 1.229 -0.187 0 C-N-CA 120.831 -0.7 . . . . 25.0 112.532 179.25 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -27.62 66.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 179.5 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.68 -36.9 84.4 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.924 -0.485 . . . . 50.0 110.475 178.543 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.72 -44.03 82.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 179.248 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.36 -42.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.272 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.99 -32.66 74.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.821 -0.55 . . . . 50.0 111.578 179.718 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.82 68.34 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -65.56 -32.08 73.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.942 0.349 . . . . 50.0 111.942 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -62.1 -35.18 77.94 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.531 176.248 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.82 -42.95 66.38 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.392 0.516 . . . . 50.0 112.392 179.25 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -75.3 -40.86 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.244 0.545 . . . . 50.0 111.069 -173.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.7 m -83.27 -22.18 33.09 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.8 -0.36 . . . . 50.0 110.972 178.868 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.1 -150.5 50.38 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 109.81 -1.316 . . . . 25.0 109.81 -176.468 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.75 -6.46 15.95 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.442 1.275 . . . . 50.0 114.442 179.395 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -72.25 -22.03 61.29 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 122.122 -0.361 . . . . 50.0 111.637 -178.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.24 176.08 48.11 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-O 121.898 0.721 . . . . 50.0 114.363 178.332 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -161.13 179.78 8.12 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.873 -2.269 . . . . 25.0 104.873 -177.107 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -127.44 158.72 36.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.455 -1.313 . . . . 50.0 107.455 177.002 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.2 t80 . . . . . 0 C--N 1.322 -0.595 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 179.413 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.218 -0.555 0 N-CA-C 110.459 -0.2 . . . . 50.0 110.459 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -65.64 -43.94 87.91 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.416 -0.802 . . . . 25.0 108.848 177.644 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.79 -37.14 78.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.428 -0.351 . . . . 50.0 111.774 -178.338 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.5 m -83.03 -28.74 29.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.591 0.589 . . . . 50.0 112.591 179.456 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.0 m -77.78 -48.19 17.18 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.155 0.428 . . . . 50.0 112.155 179.554 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -87.96 -18.08 29.87 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -176.204 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.482 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.7 t -137.12 -169.34 2.47 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 107.253 -1.388 . . . . 50.0 107.253 178.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -110.45 118.5 57.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 119.004 0.82 . . . . 50.0 109.936 -175.619 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 m -82.02 131.83 35.25 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.979 -0.748 . . . . 25.0 108.979 175.282 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.5 p -75.39 168.25 20.36 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.41 -1.329 . . . . 50.0 107.41 175.322 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.11 -32.32 67.99 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 111.856 0.317 . . . . 50.0 111.856 -179.704 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -66.82 -38.74 87.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 121.355 0.598 . . . . 50.0 111.368 179.806 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -69.02 -39.37 79.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 177.459 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.47 -33.95 76.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.033 -0.53 . . . . 50.0 112.129 179.502 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.65 -22.01 31.48 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.598 0.962 . . . . 50.0 113.598 178.012 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -65.49 -27.02 68.18 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.734 -0.603 . . . . 50.0 112.417 177.641 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -76.96 -11.44 59.81 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.285 0.564 . . . . 50.0 110.371 177.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.75 101.67 14.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.196 0.522 . . . . 50.0 110.382 -173.632 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 126.526 3.06 . . . . 50.0 111.917 -178.052 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.17 132.51 58.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 105.562 -2.014 . . . . 25.0 105.562 178.569 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.08 127.0 31.79 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 120.063 -0.655 . . . . 50.0 110.912 -176.556 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -160.18 150.44 18.4 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 102.963 -2.976 . . . . 50.0 102.963 173.644 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.482 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.0 m-70 -68.33 138.99 55.87 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.312 -0.625 . . . . 50.0 109.312 177.517 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.07 105.33 11.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.304 0.573 . . . . 50.0 111.444 -172.846 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.3 153.41 43.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.795 -1.187 . . . . 50.0 107.795 178.194 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.76 -134.58 51.17 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.487 -0.863 . . . . 25.0 111.738 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.4 p -60.59 -30.22 69.69 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 179.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -65.35 -32.24 73.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.702 -0.624 . . . . 50.0 111.798 179.586 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -68.61 -42.05 78.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.286 -0.635 . . . . 50.0 109.286 177.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.67 -42.46 96.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.075 -0.511 . . . . 25.0 110.444 178.478 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.27 -35.24 79.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.113 0.482 . . . . 50.0 111.051 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.37 -39.38 65.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.938 0.399 . . . . 25.0 110.059 179.493 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.08 -30.79 71.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.291 0.478 . . . . 50.0 112.291 -178.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -57.84 -39.73 78.39 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.89 -0.324 . . . . 25.0 110.848 175.075 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.8 mt -71.98 -41.74 67.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.362 0.505 . . . . 50.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.3 t -74.14 -41.91 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.127 0.489 . . . . 50.0 111.243 -174.05 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.4 m -82.32 -22.11 35.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.535 -0.302 . . . . 50.0 111.198 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.09 -141.36 47.27 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.133 -1.032 . . . . 25.0 110.994 -178.46 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.2 -11.99 61.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 115.509 1.67 . . . . 50.0 115.509 -177.324 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -74.58 -16.29 60.81 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.955 0.798 . . . . 50.0 113.137 -175.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.17 173.81 46.49 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 121.165 -0.54 . . . . 50.0 113.0 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -167.15 -179.37 4.55 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 -177.833 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -137.12 164.35 28.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.24 -1.022 . . . . 50.0 108.24 174.771 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.5 t80 . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 176.704 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 121.018 0.437 . . . . 50.0 110.134 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -65.49 -45.32 84.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.097 0.475 . . . . 25.0 109.818 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -63.25 -40.65 98.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.635 -0.711 . . . . 50.0 110.698 -178.427 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 m -71.54 -31.83 67.48 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.743 0.275 . . . . 50.0 111.743 179.1 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -70.49 -49.96 43.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.9 0.381 . . . . 50.0 110.824 -178.867 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -87.97 -25.2 23.28 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.192 1.182 . . . . 25.0 114.192 -174.264 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.595 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 58.9 p -133.57 -177.22 4.44 Favored 'General case' 0 C--O 1.221 -0.395 0 O-C-N 121.623 -0.673 . . . . 50.0 110.174 -177.351 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.9 mm -71.62 117.54 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.874 0.845 . . . . 50.0 111.01 -167.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -88.43 96.06 10.45 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 178.429 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -73.21 167.28 21.5 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.292 -0.632 . . . . 50.0 109.292 -178.322 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.24 -29.79 69.0 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 122.224 -0.298 . . . . 50.0 110.914 178.769 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -67.91 -37.72 82.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.406 0.622 . . . . 50.0 110.933 179.402 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -66.3 -40.07 89.75 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 108.239 -1.023 . . . . 50.0 108.239 177.414 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.8 -37.04 85.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.847 0.314 . . . . 50.0 111.847 178.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.95 -31.12 70.68 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 122.014 -0.429 . . . . 50.0 111.864 177.088 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.15 -26.96 67.67 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.762 0.653 . . . . 50.0 112.762 -179.642 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -71.12 -23.05 62.02 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.049 -0.407 . . . . 50.0 110.299 179.035 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.1 m -85.37 140.01 31.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.812 0.815 . . . . 50.0 109.835 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.213 -0.848 0 CA-C-O 125.08 2.371 . . . . 50.0 111.512 175.179 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.1 t80 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.809 -0.615 . . . . 25.0 109.631 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -136.67 143.69 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 -179.245 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -62.95 128.73 37.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.238 0.458 . . . . 50.0 112.238 -179.121 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -159.87 149.1 17.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 107.397 -1.335 . . . . 50.0 107.397 175.005 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.595 ' HD1' ' C ' ' A' ' 9' ' ' SER . 65.7 m-70 -71.61 142.99 49.96 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 106.198 -1.778 . . . . 50.0 106.198 168.522 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -136.16 117.5 14.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.052 0.453 . . . . 50.0 111.008 -176.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -142.88 158.63 43.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.803 -0.814 . . . . 50.0 108.803 -178.233 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.12 -139.61 48.27 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.797 -0.716 . . . . 25.0 112.56 178.433 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.1 p -60.24 -29.81 69.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 179.568 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -63.86 -34.38 77.82 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.793 -0.567 . . . . 50.0 111.101 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.8 tp -66.57 -43.68 84.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.62 -0.511 . . . . 50.0 109.62 179.417 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.98 -42.26 91.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.711 -179.478 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -65.66 -30.53 71.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.842 -0.536 . . . . 50.0 111.359 179.495 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -33.25 65.45 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 122.064 -0.397 . . . . 25.0 110.023 178.415 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -66.33 -31.91 72.98 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.007 -0.277 . . . . 50.0 111.163 178.619 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -60.79 -36.84 80.01 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 120.887 -0.325 . . . . 25.0 110.266 174.672 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.81 -44.33 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.712 0.634 . . . . 50.0 112.712 179.897 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.3 t -79.31 -40.2 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.377 -0.374 . . . . 50.0 111.972 -172.216 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -17.27 43.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.426 -0.583 . . . . 50.0 109.426 177.227 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.31 -157.66 51.47 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 119.965 -1.112 . . . . 25.0 111.653 179.397 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.47 -6.46 25.11 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.416 1.636 . . . . 50.0 115.416 -177.146 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -72.13 -15.33 61.98 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.213 0.915 . . . . 50.0 111.419 -179.373 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.8 176.37 50.16 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 111.111 -0.796 . . . . 50.0 111.111 -178.497 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -163.03 179.29 7.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 104.312 -2.477 . . . . 25.0 104.312 -178.239 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -131.67 162.28 30.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.565 -1.272 . . . . 50.0 107.565 176.201 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.4 t80 . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 176.98 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 120.995 0.426 . . . . 50.0 111.723 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -63.03 -33.11 74.73 Favored 'General case' 0 C--O 1.221 -0.428 0 O-C-N 122.006 -0.434 . . . . 25.0 111.229 -176.269 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -59.6 -33.45 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.275 -0.42 . . . . 50.0 111.403 -178.845 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -94.24 -23.43 17.87 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.478 -0.489 . . . . 50.0 111.656 179.348 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.84 -48.25 15.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.822 0.675 . . . . 50.0 112.822 -177.87 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -87.28 -22.82 24.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.837 0.351 . . . . 25.0 111.605 -173.612 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.537 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 78.4 p -143.86 -173.19 3.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.886 -0.783 . . . . 50.0 108.886 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -91.92 118.01 36.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.757 -0.589 . . . . 50.0 112.397 -169.839 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.8 113.14 20.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 167.197 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.7 p -73.91 169.45 17.41 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.029 -1.471 . . . . 50.0 107.029 176.591 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.99 -28.14 66.06 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 111.947 0.351 . . . . 50.0 111.947 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -68.85 -41.29 78.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.897 -0.502 . . . . 50.0 110.467 179.48 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -66.55 -40.97 89.32 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 108.377 -0.971 . . . . 50.0 108.377 175.807 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.18 -37.03 85.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.124 0.416 . . . . 50.0 112.124 -179.528 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -62.81 -31.56 72.57 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.445 -0.784 . . . . 50.0 111.758 175.008 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -26.74 68.8 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 178.066 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -70.99 -20.7 62.39 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.737 -0.602 . . . . 50.0 111.304 176.554 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 p -113.74 43.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.727 1.251 . . . . 50.0 110.435 177.379 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--O 1.216 -0.676 0 CA-C-O 124.693 2.187 . . . . 50.0 111.318 175.11 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.8 t80 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.908 -0.567 . . . . 25.0 109.782 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -136.9 143.59 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 -178.508 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -66.25 136.04 55.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.265 0.555 . . . . 50.0 110.569 -178.362 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -160.18 143.86 14.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.337 -1.727 . . . . 50.0 106.337 172.785 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.537 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.0 m-70 -70.48 146.42 50.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.306 -1.738 . . . . 50.0 106.306 167.91 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.5 mt -135.14 122.66 21.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.111 0.412 . . . . 50.0 112.111 -173.53 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -133.72 158.1 44.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.622 -0.51 . . . . 50.0 109.622 177.161 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.98 -133.43 41.08 Favored Glycine 0 C--O 1.231 -0.04 0 C-N-CA 121.2 -0.524 . . . . 25.0 113.903 174.062 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.0 p -58.43 -31.98 68.25 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -179.392 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -64.58 -36.23 83.56 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.325 0.511 . . . . 50.0 111.425 -179.673 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.0 tp -67.0 -40.97 87.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.268 0.556 . . . . 50.0 109.64 -179.886 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.9 -42.69 89.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.319 178.699 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -62.94 -36.63 84.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.431 . . . . 50.0 110.653 179.018 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.52 -38.13 77.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.275 -0.42 . . . . 25.0 110.333 -179.277 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.59 -32.59 74.11 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.883 0.327 . . . . 50.0 111.883 -178.449 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -59.28 -41.69 89.53 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.183 0.447 . . . . 25.0 110.302 175.921 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -71.98 -41.57 67.51 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.841 0.682 . . . . 50.0 112.841 -177.866 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -78.89 -41.53 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.092 0.472 . . . . 50.0 111.776 -173.408 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.44 -17.3 49.3 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.065 -0.717 . . . . 50.0 109.065 179.084 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.87 -153.51 52.96 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-O 121.826 0.681 . . . . 25.0 113.029 175.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -11.59 27.09 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.412 0.893 . . . . 50.0 113.412 -178.711 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -65.71 -24.45 66.99 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 122.192 -0.317 . . . . 50.0 110.562 177.279 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.29 -172.6 55.23 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.008 -1.637 . . . . 50.0 109.008 -175.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -161.7 178.68 8.78 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 -178.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -140.68 168.82 18.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 104.066 -2.568 . . . . 50.0 104.066 178.266 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 106.797 -1.557 . . . . 25.0 106.797 175.795 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 121.358 0.599 . . . . 50.0 111.809 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -63.89 -35.52 80.92 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.127 -0.358 . . . . 25.0 111.212 -179.343 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -62.71 -40.91 98.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 50.0 110.774 -179.543 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -82.46 -12.41 57.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.324 0.491 . . . . 50.0 112.324 -177.548 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 m -82.68 -45.04 14.97 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.667 -0.494 . . . . 50.0 109.667 174.227 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 t -82.89 -24.79 33.0 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -177.345 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.525 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 9.2 t -136.94 177.37 7.92 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.811 -0.556 . . . . 50.0 110.355 179.158 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.8 mm -70.15 -43.41 78.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 115.519 1.674 . . . . 50.0 115.519 -162.091 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.1 m 56.04 82.19 0.11 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.944 0.878 . . . . 25.0 111.259 -171.086 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -66.33 168.57 8.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.664 -1.235 . . . . 50.0 107.664 174.546 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.17 -28.77 42.58 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.503 0.927 . . . . 50.0 113.503 -177.851 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -68.74 -37.9 79.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.975 0.417 . . . . 50.0 111.011 179.234 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -73.28 -35.93 66.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.423 0.63 . . . . 50.0 109.764 176.561 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.06 -32.12 73.42 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.777 -0.647 . . . . 50.0 111.688 178.899 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.13 -13.91 14.38 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.579 0.955 . . . . 50.0 113.579 176.218 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -65.06 -27.41 68.76 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.853 -0.53 . . . . 50.0 110.921 174.39 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -82.81 -5.33 58.9 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.294 0.637 . . . . 50.0 111.952 -179.789 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.28 141.84 47.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.91 0.862 . . . . 50.0 112.098 -171.509 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 t30 . . . . . 0 C--O 1.207 -1.15 0 CA-C-O 124.529 2.109 . . . . 50.0 112.66 178.793 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 118.765 -0.636 . . . . 25.0 109.673 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.33 143.65 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -74.54 126.26 30.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.261 0.553 . . . . 50.0 111.926 179.617 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -158.98 150.04 20.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 103.826 -2.657 . . . . 50.0 103.826 170.188 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.525 ' HD1' ' C ' ' A' ' 9' ' ' SER . 74.6 m-70 -69.69 146.5 51.53 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.057 -1.46 . . . . 50.0 107.057 171.285 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 mt -132.36 120.88 22.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.694 0.627 . . . . 50.0 112.694 -171.897 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -129.36 157.04 43.03 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.497 -0.32 . . . . 50.0 110.271 176.938 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.31 -133.87 45.72 Favored Glycine 0 C--O 1.226 -0.348 0 C-N-CA 120.927 -0.654 . . . . 25.0 113.799 172.908 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.2 p -60.41 -29.87 69.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -179.351 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -62.8 -41.12 99.15 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.688 -0.633 . . . . 50.0 109.461 177.418 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -68.86 -43.29 75.71 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.858 -0.423 . . . . 50.0 109.858 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.93 -45.93 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.587 0.232 . . . . 25.0 111.361 179.605 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.25 -28.57 65.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.42 -0.8 . . . . 50.0 111.659 -179.222 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.92 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 176.19 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -65.46 -33.96 77.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.28 0.474 . . . . 50.0 112.28 -179.634 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -57.47 -40.33 78.33 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 120.797 0.332 . . . . 25.0 110.221 175.461 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.7 mt -71.84 -43.77 64.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.615 0.598 . . . . 50.0 112.615 -179.437 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.34 -43.37 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.109 0.481 . . . . 50.0 110.573 -174.257 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.6 m -84.56 -24.51 29.23 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.575 0.583 . . . . 50.0 112.575 -178.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.86 -138.05 48.97 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.085 -1.206 . . . . 25.0 110.085 -176.426 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -68.35 -6.84 26.56 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.979 1.474 . . . . 50.0 114.979 -179.337 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -70.26 -24.63 63.09 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.657 -0.652 . . . . 50.0 112.277 -178.6 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.89 167.14 36.94 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 110.794 -0.923 . . . . 50.0 110.794 -176.284 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -158.6 174.83 14.46 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -176.791 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -126.4 161.77 27.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.157 -0.683 . . . . 50.0 109.157 177.719 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 -178.338 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 C--O 1.217 -0.649 0 CA-C-O 121.348 0.594 . . . . 50.0 109.673 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.98 -39.9 96.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.984 -0.553 . . . . 25.0 109.746 178.547 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.44 -39.41 93.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.546 -0.297 . . . . 50.0 111.08 179.372 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 66.2 m -80.22 -13.26 59.37 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.155 0.428 . . . . 50.0 112.155 178.265 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.04 -45.28 14.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.925 0.393 . . . . 50.0 110.057 175.229 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 t -84.74 -22.29 29.72 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.184 0.516 . . . . 25.0 111.941 -177.393 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.518 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 65.2 m -136.81 176.36 8.78 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 121.531 -0.73 . . . . 50.0 109.684 179.265 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.4 mm -71.83 -45.56 64.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 115.564 1.69 . . . . 50.0 115.564 -163.624 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.3 m 60.99 98.65 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 122.012 0.91 . . . . 25.0 111.374 -169.374 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.7 p -67.18 167.08 12.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.18 -1.045 . . . . 50.0 108.18 176.655 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.13 -33.73 65.43 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 122.156 -0.34 . . . . 50.0 111.81 -179.359 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.87 -37.68 86.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.454 0.645 . . . . 50.0 111.829 179.04 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -68.51 -38.78 81.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.961 -0.755 . . . . 50.0 108.961 177.262 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.76 -32.13 73.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.784 -0.643 . . . . 50.0 112.647 179.506 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -55.64 -28.94 58.18 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.402 0.547 . . . . 50.0 112.35 177.675 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -59.53 -27.91 66.6 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.889 0.7 . . . . 50.0 112.889 178.787 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -64.25 -23.08 67.18 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 122.356 -0.215 . . . . 50.0 110.706 178.744 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.8 p -128.36 35.7 4.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.685 -0.857 . . . . 50.0 108.685 177.283 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 N--CA 1.481 1.089 0 C-N-CA 125.364 1.466 . . . . 50.0 113.802 -175.939 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 118.971 -0.537 . . . . 25.0 109.818 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.4 129.78 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 -177.356 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -67.65 124.92 24.6 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.299 0.571 . . . . 50.0 111.383 178.385 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -160.3 149.49 17.38 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 104.083 -2.562 . . . . 50.0 104.083 173.515 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.6 m-70 -70.51 146.73 50.03 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.374 -1.343 . . . . 50.0 107.374 170.493 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 mt -128.33 113.3 15.43 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.716 1.006 . . . . 50.0 113.716 -170.523 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.5 m -129.6 157.59 41.66 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.531 -0.544 . . . . 50.0 109.531 175.705 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.56 -135.16 45.73 Favored Glycine 0 C--O 1.229 -0.164 0 C-N-CA 121.209 -0.519 . . . . 25.0 113.927 174.12 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -30.48 68.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -179.249 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.5 -37.15 86.19 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.717 -0.614 . . . . 50.0 110.33 179.047 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.78 -45.4 78.58 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 121.22 -0.192 . . . . 50.0 111.494 -178.245 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.46 -29.02 26.28 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 C-N-CA 119.792 -0.763 . . . . 25.0 111.426 -178.839 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.04 -32.74 71.02 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.561 -0.712 . . . . 50.0 110.383 175.275 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.79 89.72 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 174.603 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.62 -33.69 76.18 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.669 0.618 . . . . 50.0 112.669 179.81 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -58.82 -43.68 90.69 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 175.377 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.94 -42.46 66.62 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.934 0.716 . . . . 50.0 112.934 -179.799 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -70.9 -47.73 60.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.781 0.289 . . . . 50.0 111.781 -174.567 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -14.33 50.83 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.051 -0.659 . . . . 50.0 109.828 -178.155 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.02 -148.01 49.95 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-O 122.246 0.914 . . . . 25.0 115.038 173.442 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -64.25 -16.2 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.712 1.004 . . . . 50.0 113.712 -176.078 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -22.55 64.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.363 0.265 . . . . 50.0 110.807 178.797 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.77 -176.11 54.79 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.218 -1.553 . . . . 50.0 109.218 -175.882 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -158.8 174.62 14.73 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.566 -2.013 . . . . 25.0 105.566 -178.645 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -126.23 158.74 34.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.39 -1.337 . . . . 50.0 107.39 175.541 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.8 t80 . . . . . 0 C--N 1.32 -0.7 0 N-CA-C 105.709 -1.96 . . . . 25.0 105.709 -179.992 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 121.485 0.659 . . . . 50.0 112.551 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -62.04 -28.59 69.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -176.27 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.7 -25.97 68.17 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.582 0.215 . . . . 50.0 111.582 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -97.06 -12.9 22.63 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.967 0.413 . . . . 50.0 111.175 176.52 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -92.23 -49.7 6.04 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.829 0.677 . . . . 50.0 112.829 -175.885 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -73.9 -19.32 60.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 25.0 112.01 -174.047 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.5 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 62.1 p -149.71 -178.08 6.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.736 -0.839 . . . . 50.0 108.736 -179.455 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.9 mm -86.13 133.82 28.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.473 -1.306 . . . . 50.0 107.473 -176.095 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -116.98 145.38 43.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.464 -1.68 . . . . 25.0 106.464 173.067 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.4 p -94.09 171.5 8.81 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.443 -0.577 . . . . 50.0 109.443 -177.271 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.96 -28.07 68.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.813 0.339 . . . . 50.0 111.474 178.255 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -67.9 -40.72 83.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.068 0.461 . . . . 50.0 109.876 -179.871 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -70.21 -39.55 75.07 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 178.572 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -60.17 -35.3 75.04 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.723 1.008 . . . . 50.0 113.723 -179.41 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.08 -28.13 62.34 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 119.031 0.832 . . . . 50.0 112.705 178.47 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -65.43 -26.9 68.17 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.115 0.413 . . . . 50.0 112.115 178.092 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -73.53 -12.73 60.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.485 -0.325 . . . . 50.0 111.728 -176.367 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -132.54 168.59 17.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 122.169 0.985 . . . . 50.0 112.368 -173.815 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--O 1.21 -1.012 0 CA-C-O 124.196 1.95 . . . . 50.0 113.557 178.356 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.4 t80 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.808 -0.615 . . . . 25.0 109.761 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.57 134.2 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -177.821 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.92 124.65 24.29 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.23 0.538 . . . . 50.0 111.513 178.094 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -160.17 147.06 16.03 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.801 -1.926 . . . . 50.0 105.801 173.841 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.5 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 71.9 m-70 -67.97 143.74 55.48 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.124 -1.065 . . . . 50.0 108.124 170.856 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 37.0 mt -128.78 105.61 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.282 0.233 . . . . 50.0 110.47 -175.117 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -117.33 -6.25 11.27 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.183 1.92 . . . . 50.0 116.183 -173.313 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.26 -126.0 1.11 Allowed Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.775 -0.726 . . . . 25.0 112.194 -176.188 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -28.83 63.14 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.218 0.509 . . . . 25.0 111.567 177.931 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -57.23 -36.93 71.51 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 112.282 0.475 . . . . 50.0 112.282 175.667 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.56 -39.91 80.84 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.426 -0.583 . . . . 50.0 109.426 -178.264 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.11 -43.28 97.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.106 0.479 . . . . 25.0 109.93 177.68 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.01 -32.73 74.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.047 0.451 . . . . 50.0 110.935 179.326 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.91 -40.44 65.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.857 -0.424 . . . . 25.0 109.857 178.864 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.0 -34.54 78.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.457 -0.338 . . . . 50.0 111.347 -179.256 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -55.12 -45.15 75.53 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.04 0.448 . . . . 25.0 109.953 175.004 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.98 -43.77 64.59 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.517 0.932 . . . . 50.0 113.517 -178.739 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.19 -44.46 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.92 0.39 . . . . 50.0 111.937 -172.376 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -18.79 37.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.925 -0.768 . . . . 50.0 108.925 179.524 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.46 -143.8 46.12 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-O 122.392 0.996 . . . . 25.0 113.907 174.078 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 -10.18 50.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.766 1.395 . . . . 50.0 114.766 -176.833 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -76.76 -8.2 56.85 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.885 0.766 . . . . 50.0 111.131 -179.836 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.79 170.71 44.76 Favored Glycine 0 C--O 1.226 -0.381 0 N-CA-C 110.324 -1.11 . . . . 50.0 110.324 -179.686 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -158.52 171.38 20.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 -177.725 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -133.15 165.96 23.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.512 -2.033 . . . . 50.0 105.512 174.577 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.9 t80 . . . . . 0 C--N 1.321 -0.661 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 179.616 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 121.149 0.499 . . . . 50.0 110.169 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -65.0 -40.49 95.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.366 -0.379 . . . . 25.0 109.992 178.827 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -60.63 -43.37 97.6 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.682 -0.235 . . . . 50.0 110.799 -178.634 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.0 m -75.12 -27.39 59.8 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.008 0.744 . . . . 50.0 113.008 179.386 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -83.36 -51.84 7.06 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.285 0.846 . . . . 50.0 113.285 -177.22 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -81.94 -19.43 40.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 25.0 111.174 -173.999 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.485 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.0 t -145.72 -175.32 4.69 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.976 -0.453 . . . . 50.0 110.054 179.573 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -87.55 133.46 30.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 -173.729 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.6 p -120.61 137.95 54.16 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 171.993 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.8 p -86.76 175.71 8.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.528 -0.545 . . . . 50.0 109.528 -175.039 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.38 -32.09 70.97 Favored 'General case' 0 C--O 1.215 -0.728 0 C-N-CA 121.131 -0.228 . . . . 50.0 111.019 177.492 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -67.68 -38.32 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.321 0.581 . . . . 50.0 110.548 179.321 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -67.11 -39.27 86.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 177.282 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.03 -33.41 75.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.802 -0.635 . . . . 50.0 112.601 179.554 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.23 -22.41 52.03 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.849 0.685 . . . . 50.0 112.849 177.499 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -63.6 -26.87 68.88 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.422 0.527 . . . . 50.0 112.422 177.799 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -70.53 -29.57 66.08 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.271 -0.64 . . . . 50.0 109.271 178.243 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 m -89.37 49.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.151 0.977 . . . . 50.0 108.814 179.496 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.212 -0.91 0 CA-C-O 125.02 2.343 . . . . 50.0 113.62 -173.169 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.1 t80 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -138.28 143.75 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 106.222 -1.77 . . . . 25.0 106.222 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -69.96 133.59 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.708 0.766 . . . . 50.0 111.374 -178.86 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -160.36 155.37 24.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 103.555 -2.758 . . . . 50.0 103.555 172.056 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.485 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 72.0 m-70 -69.2 145.31 53.32 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.297 -1.372 . . . . 50.0 107.297 170.11 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.88 113.91 20.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.73 0.3 . . . . 50.0 111.218 -178.298 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 91.8 m -132.45 156.53 46.56 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.153 -0.684 . . . . 50.0 109.153 175.304 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.72 -129.68 41.76 Favored Glycine 0 CA--C 1.516 0.106 0 C-N-CA 121.067 -0.587 . . . . 25.0 114.095 174.121 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.3 p -59.99 -36.03 76.3 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 179.844 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -62.12 -35.09 77.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.962 -0.461 . . . . 50.0 110.98 -179.876 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.0 tp -68.86 -47.66 65.38 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.81 -0.356 . . . . 50.0 111.48 -179.378 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.54 -31.99 51.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 120.131 -0.628 . . . . 25.0 110.065 -178.155 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.36 -38.48 87.7 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.85 -0.531 . . . . 50.0 110.852 176.667 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.41 90.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.925 -0.31 . . . . 25.0 110.29 179.265 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.28 -34.65 78.15 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.192 0.442 . . . . 50.0 112.192 -179.236 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -63.34 -38.56 91.64 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 120.696 -0.402 . . . . 25.0 110.227 177.141 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -71.92 -43.99 64.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.932 0.716 . . . . 50.0 112.932 178.856 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.3 t -70.67 -45.57 73.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.146 0.498 . . . . 50.0 111.533 -173.785 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.8 m -94.62 -7.4 41.03 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.36 -0.382 . . . . 50.0 111.362 -176.62 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.15 -162.61 54.15 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-O 122.301 0.945 . . . . 25.0 114.377 172.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -68.01 -6.31 21.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.843 -0.678 . . . . 50.0 112.751 -178.815 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -68.58 -22.18 64.47 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.677 0.275 . . . . 50.0 110.318 177.569 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.14 -176.96 51.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.975 -0.631 . . . . 50.0 111.996 179.915 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -167.4 -178.98 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.491 -2.411 . . . . 25.0 104.491 -177.057 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -129.58 161.88 29.51 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.373 -1.343 . . . . 50.0 107.373 173.628 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 179.398 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.22 -0.454 0 N-CA-C 110.41 -0.219 . . . . 50.0 110.41 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mp0 -69.49 -40.6 76.94 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.667 -0.646 . . . . 25.0 109.742 176.677 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -56.87 -44.43 82.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.31 0.381 . . . . 50.0 110.273 -178.347 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.5 m -79.38 -30.06 42.35 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.309 -0.556 . . . . 50.0 111.813 -177.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 t -70.65 -50.59 35.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.739 0.304 . . . . 50.0 110.84 -179.274 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -88.06 -19.22 27.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -175.204 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.483 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 53.3 p -140.34 -171.17 3.14 Favored 'General case' 0 C--O 1.223 -0.318 0 O-C-N 121.649 -0.657 . . . . 50.0 110.853 -178.822 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.3 mm -97.67 108.38 21.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.839 -0.538 . . . . 50.0 110.377 -171.607 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 m -79.8 130.21 35.13 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 175.242 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.6 p -79.85 169.2 18.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.759 -1.2 . . . . 50.0 107.759 175.386 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.41 -30.46 68.47 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 111.788 0.292 . . . . 50.0 111.788 -179.856 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -67.61 -37.29 82.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.444 0.64 . . . . 50.0 111.075 -179.669 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -69.46 -38.41 77.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.835 -0.802 . . . . 50.0 108.835 177.299 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.37 -33.88 76.88 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.701 0.63 . . . . 50.0 112.701 179.092 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.8 -21.0 25.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.513 0.931 . . . . 50.0 113.513 178.591 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -66.65 -26.93 67.29 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.746 -0.597 . . . . 50.0 112.368 177.104 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -81.2 -6.05 58.42 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.936 0.398 . . . . 50.0 111.813 178.781 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.76 157.54 37.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.778 0.799 . . . . 50.0 112.578 -170.727 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.7 t30 . . . . . 0 C--O 1.214 -0.808 0 CA-C-O 124.693 2.187 . . . . 50.0 111.568 178.934 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.951 -0.547 . . . . 25.0 109.533 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 81.7 t -131.02 133.08 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 -179.465 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -67.56 125.93 27.74 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.467 0.651 . . . . 50.0 110.141 177.804 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -160.31 143.77 13.78 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 105.955 -1.868 . . . . 50.0 105.955 176.262 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.483 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.6 m-70 -69.45 144.95 53.13 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.389 -1.337 . . . . 50.0 107.389 170.856 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.5 mt -129.46 105.42 8.09 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.942 -0.392 . . . . 50.0 109.942 -173.738 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.1 -57.51 1.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.003 0.742 . . . . 50.0 113.003 -176.049 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.15 -138.32 4.91 Favored Glycine 0 C--O 1.227 -0.32 0 N-CA-C 111.761 -0.536 . . . . 25.0 111.761 178.529 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -25.13 13.94 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 179.183 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -56.91 -36.49 70.22 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.449 0.537 . . . . 50.0 112.449 175.693 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 tp -65.31 -42.23 93.25 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.65 -0.5 . . . . 50.0 109.65 -179.177 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.53 -43.17 96.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.231 178.58 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.13 -35.64 80.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.1 0.476 . . . . 50.0 111.023 -179.613 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.98 -38.96 69.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.356 -0.384 . . . . 25.0 110.166 179.915 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 mt -66.43 -28.12 68.36 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.774 0.657 . . . . 50.0 112.774 -177.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -60.71 -36.37 78.64 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.662 -0.415 . . . . 25.0 110.632 174.753 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.03 -43.42 65.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.107 0.479 . . . . 50.0 111.785 178.898 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.92 -42.33 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.896 -0.593 . . . . 50.0 110.999 -173.497 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.2 m -90.49 -13.03 35.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.738 0.644 . . . . 50.0 112.738 -178.58 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.1 -136.26 34.59 Favored Glycine 0 CA--C 1.52 0.362 0 CA-C-O 122.402 1.001 . . . . 25.0 113.128 179.185 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -72.46 -10.52 59.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.152 1.168 . . . . 50.0 114.152 -178.542 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.89 -19.32 54.95 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.955 -0.466 . . . . 50.0 111.059 -176.851 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.84 173.93 44.12 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 121.943 0.746 . . . . 50.0 113.674 178.611 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -159.96 176.97 11.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.079 -2.193 . . . . 25.0 105.079 -177.955 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -133.67 165.77 24.15 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.356 -0.979 . . . . 50.0 108.356 179.179 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 C--N 1.32 -0.685 0 N-CA-C 106.817 -1.549 . . . . 25.0 106.817 175.36 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 121.735 0.779 . . . . 50.0 109.344 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -58.21 -40.52 81.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.142 -0.935 . . . . 25.0 111.387 -178.427 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -39.58 89.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.757 -0.201 . . . . 50.0 111.37 179.808 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -27.01 54.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.319 0.58 . . . . 50.0 111.498 179.409 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.2 m -70.65 -42.48 70.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.35 -0.386 . . . . 50.0 110.655 176.702 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -87.94 -23.49 23.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.952 1.093 . . . . 25.0 113.952 -176.226 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.425 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 48.8 m -137.01 158.68 43.91 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 121.26 -0.9 . . . . 50.0 111.357 -178.136 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp -78.48 118.94 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 122.008 -0.433 . . . . 50.0 110.16 -173.848 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.9 m -83.23 128.06 34.17 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 171.132 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.6 p -76.32 169.3 18.48 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.487 -2.042 . . . . 50.0 105.487 173.213 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.11 -30.48 68.14 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 122.062 -0.399 . . . . 50.0 111.302 179.381 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -68.89 -38.99 80.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.089 0.471 . . . . 50.0 111.156 179.395 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.94 -37.3 75.84 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.149 -0.686 . . . . 50.0 109.149 177.872 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.73 -31.98 73.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.736 -0.665 . . . . 50.0 112.335 177.43 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.36 -24.07 58.76 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 112.777 0.658 . . . . 50.0 112.777 177.526 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -63.16 -28.42 70.04 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.593 -0.692 . . . . 50.0 111.607 176.221 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -89.07 -3.65 58.6 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.193 0.597 . . . . 50.0 110.387 -178.869 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 125.95 46.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.643 1.211 . . . . 50.0 113.089 -164.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 C--O 1.214 -0.802 0 CA-C-O 122.864 1.316 . . . . 50.0 110.02 179.018 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.9 t80 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.999 -0.524 . . . . 25.0 109.693 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -138.5 143.68 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 -179.313 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -64.48 126.62 28.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.583 0.706 . . . . 50.0 112.286 -178.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -160.17 148.74 17.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 104.578 -2.378 . . . . 50.0 104.578 172.526 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.425 ' HD1' ' C ' ' A' ' 9' ' ' SER . 69.7 m-70 -70.95 146.22 49.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.941 -1.133 . . . . 50.0 107.941 172.69 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 108.33 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.25 0.548 . . . . 50.0 111.967 -174.59 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -141.09 154.46 45.94 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.418 -0.956 . . . . 50.0 108.418 178.118 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.73 -143.69 48.71 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.499 -0.858 . . . . 25.0 111.392 -179.613 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -27.84 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 179.436 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -61.16 -32.0 71.73 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.868 -0.52 . . . . 50.0 111.211 179.203 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.19 -47.98 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.002 -0.279 . . . . 50.0 111.409 -179.743 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 m -71.43 -30.7 40.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.012 -0.675 . . . . 25.0 110.685 -178.168 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.54 -40.2 95.16 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.94 -0.475 . . . . 50.0 110.243 176.662 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.02 85.98 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 178.126 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -66.06 -30.59 71.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.023 0.749 . . . . 50.0 113.023 -178.626 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -61.42 -36.45 80.37 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.847 -0.341 . . . . 25.0 110.188 174.903 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.84 -40.9 68.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.166 0.432 . . . . 50.0 112.166 178.939 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -74.59 -42.51 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.01 0.433 . . . . 50.0 111.534 -174.238 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -15.41 37.52 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.177 -0.609 . . . . 50.0 111.388 -179.657 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.74 -152.25 52.49 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.295 -0.955 . . . . 25.0 111.226 -178.549 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -66.59 -7.34 19.56 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.945 1.091 . . . . 50.0 113.945 -178.289 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -66.03 -26.26 67.44 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.022 0.749 . . . . 50.0 113.022 -179.412 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.06 -179.97 51.88 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 108.176 -1.97 . . . . 50.0 108.176 -172.903 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -161.77 -175.83 4.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.7 -1.592 . . . . 25.0 106.7 -175.974 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -126.7 168.71 14.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.147 0.499 . . . . 50.0 109.948 -178.749 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--N 1.323 -0.586 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 178.26 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--O 1.218 -0.566 0 N-CA-C 109.959 -0.385 . . . . 50.0 109.959 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -64.82 -41.44 95.77 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 178.488 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -56.87 -40.04 75.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.505 -0.316 . . . . 50.0 111.472 -179.178 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.74 -10.44 42.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.265 0.839 . . . . 50.0 113.265 -178.782 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.4 t -91.97 -44.11 9.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.568 0.223 . . . . 50.0 110.856 178.502 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -87.81 -21.64 24.95 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.92 -0.488 . . . . 25.0 110.756 -179.534 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.516 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 50.8 m -130.75 -178.72 4.92 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 108.512 -0.922 . . . . 50.0 108.512 175.833 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -77.51 -50.72 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 115.722 1.749 . . . . 50.0 115.722 -164.457 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.8 m 63.09 111.99 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 122.181 0.991 . . . . 25.0 112.191 -167.817 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.1 p -71.69 165.38 24.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.432 -1.321 . . . . 50.0 107.432 175.402 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -56.65 -27.98 59.65 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.369 0.507 . . . . 50.0 112.369 -179.082 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -68.55 -37.46 79.95 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.21 0.529 . . . . 50.0 111.096 179.165 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -70.97 -34.16 71.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.417 0.627 . . . . 50.0 109.501 177.206 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.92 -32.18 72.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.464 -0.789 . . . . 50.0 112.184 178.391 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.35 -28.04 40.21 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.38 0.536 . . . . 50.0 112.221 178.244 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -59.34 -27.02 65.54 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.564 0.949 . . . . 50.0 113.564 178.681 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -72.49 -14.01 61.56 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 122.112 -0.368 . . . . 50.0 111.909 -179.373 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.5 m -82.64 151.87 26.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 -178.41 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t30 . . . . . 0 C--O 1.213 -0.825 0 CA-C-O 124.553 2.121 . . . . 50.0 112.139 -178.745 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.3 t80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.808 -0.615 . . . . 25.0 109.647 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t -125.79 133.23 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -178.807 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -71.13 128.78 37.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.296 0.569 . . . . 50.0 111.49 178.665 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -159.52 149.27 18.55 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 104.018 -2.586 . . . . 50.0 104.018 172.657 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.516 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.7 m-70 -70.42 144.87 51.38 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.392 -1.336 . . . . 50.0 107.392 170.882 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.9 mt -125.38 105.35 9.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.226 0.536 . . . . 50.0 112.403 -173.033 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 m -122.73 151.52 41.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.558 -0.534 . . . . 50.0 109.558 179.111 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.71 -133.65 47.35 Favored Glycine 0 C--O 1.228 -0.268 0 C-N-CA 120.939 -0.648 . . . . 25.0 113.275 176.019 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -29.24 67.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.158 1.17 . . . . 25.0 114.158 -179.121 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -36.41 83.11 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.75 -0.594 . . . . 50.0 110.563 179.502 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.6 tp -66.04 -42.7 89.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.631 -0.507 . . . . 50.0 109.631 179.286 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.15 -43.08 97.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.066 0.46 . . . . 25.0 110.59 178.771 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.65 -34.93 78.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.891 0.377 . . . . 50.0 110.882 -179.679 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.83 -38.3 73.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.948 -0.389 . . . . 25.0 109.948 -178.917 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.84 -27.98 69.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.393 0.886 . . . . 50.0 113.393 -176.675 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -60.47 -42.47 96.3 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.895 -0.409 . . . . 25.0 109.895 174.313 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -71.88 -39.23 69.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.968 0.413 . . . . 50.0 111.783 179.104 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.96 -48.11 85.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 50.0 111.338 -174.647 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.33 -12.01 26.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.091 -0.644 . . . . 50.0 112.71 -177.049 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.65 -145.58 49.93 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.323 -0.941 . . . . 25.0 111.968 178.656 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -66.25 -9.58 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.881 1.067 . . . . 50.0 113.881 -178.038 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -69.06 -25.46 64.47 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 122.114 -0.366 . . . . 50.0 110.95 178.155 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.88 179.34 51.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.891 -0.671 . . . . 50.0 112.111 -177.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -162.98 179.41 7.58 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 104.505 -2.405 . . . . 25.0 104.505 -177.511 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -133.9 160.36 37.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.43 -1.322 . . . . 50.0 107.43 174.419 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 C--N 1.321 -0.641 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 179.335 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 120.7 0.286 . . . . 50.0 111.211 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -59.92 -41.02 90.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 179.774 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -64.12 -39.26 93.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.903 -0.59 . . . . 50.0 111.647 -177.141 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.3 m -83.44 -12.23 56.63 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.95 0.352 . . . . 50.0 111.95 178.757 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -87.66 -47.58 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.861 0.362 . . . . 50.0 110.589 177.148 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -79.93 -22.51 42.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.05 -0.406 . . . . 25.0 111.051 -178.536 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.522 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.6 t -135.05 -173.3 3.28 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 109.434 -0.58 . . . . 50.0 109.434 178.876 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.3 mm -84.61 -35.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 113.684 0.994 . . . . 50.0 113.684 -166.171 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 m 61.56 -164.94 0.23 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -169.731 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.9 p -155.22 170.61 21.46 Favored 'General case' 0 CA--C 1.509 -0.596 0 N-CA-C 105.287 -2.116 . . . . 50.0 105.287 179.464 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -59.34 -33.44 71.15 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 118.088 0.403 . . . . 50.0 111.248 -179.712 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -66.6 -37.66 85.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.471 0.653 . . . . 50.0 111.48 179.958 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.41 -38.14 77.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.994 -0.743 . . . . 50.0 108.994 177.356 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.89 -32.14 73.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.632 -0.713 . . . . 50.0 112.664 178.985 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -55.36 -27.84 49.97 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.694 0.628 . . . . 50.0 112.694 177.817 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -61.19 -28.26 69.01 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.891 0.7 . . . . 50.0 112.891 179.114 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -68.56 -19.75 64.5 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.23 -0.294 . . . . 50.0 110.636 -179.938 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.5 p -131.61 41.84 3.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.288 1.042 . . . . 50.0 108.998 178.348 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.7 t30 . . . . . 0 C--O 1.214 -0.782 0 CA-C-O 124.718 2.199 . . . . 50.0 111.979 179.427 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.918 -0.563 . . . . 25.0 109.605 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -138.51 142.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 178.444 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -66.48 128.26 35.51 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.751 0.31 . . . . 50.0 111.592 -176.495 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -160.12 146.79 15.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.448 -2.056 . . . . 50.0 105.448 175.947 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 71.8 m-70 -71.81 145.12 48.87 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.864 -0.791 . . . . 50.0 108.864 172.189 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 49.2 mt -128.77 105.53 8.31 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.163 0.431 . . . . 50.0 112.163 -173.531 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.4 m -115.56 -62.97 1.52 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.431 0.9 . . . . 50.0 113.431 -179.016 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.96 -131.2 3.99 Favored Glycine 0 C--O 1.225 -0.41 0 CA-C-N 116.145 -0.48 . . . . 25.0 112.849 -177.591 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -25.63 30.12 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 179.189 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -56.69 -39.3 73.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.164 -0.335 . . . . 50.0 111.667 175.881 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.86 -40.79 88.0 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.951 -0.388 . . . . 50.0 109.951 -179.113 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.54 -43.23 98.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.316 178.804 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -66.24 -31.37 72.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.985 -0.447 . . . . 50.0 111.513 179.445 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.39 72.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 177.891 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.49 -32.43 74.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.21 0.448 . . . . 50.0 112.21 -179.881 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -58.1 -39.35 78.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.876 0.37 . . . . 25.0 110.663 175.585 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.79 -44.35 64.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.733 0.642 . . . . 50.0 112.733 179.499 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.55 -43.82 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.118 0.485 . . . . 50.0 111.716 -172.533 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.0 m -84.81 -12.8 52.86 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.943 -0.392 . . . . 50.0 109.943 -178.832 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 51.96 -137.96 31.36 Favored Glycine 0 C--O 1.228 -0.267 0 CA-C-O 122.542 1.079 . . . . 25.0 115.186 174.313 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -70.28 -11.9 61.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.454 0.909 . . . . 50.0 113.454 -176.806 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.09 -19.77 50.4 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.247 -0.283 . . . . 50.0 110.358 -176.705 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.75 176.89 50.96 Favored Glycine 0 C--O 1.229 -0.183 0 C-N-CA 120.97 -0.633 . . . . 50.0 111.973 -179.944 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -163.41 177.73 8.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 -177.555 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -135.82 165.94 24.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.503 -1.666 . . . . 50.0 106.503 174.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 t80 . . . . . 0 C--N 1.321 -0.66 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 178.538 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 120.263 0.077 . . . . 50.0 111.14 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.66 -42.62 77.68 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 178.438 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -63.03 -28.31 70.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.075 -0.511 . . . . 50.0 111.757 -178.323 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.8 m -85.95 -29.44 23.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.51 0.559 . . . . 50.0 112.51 173.711 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -51.06 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.265 1.209 . . . . 50.0 114.265 -175.071 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -88.01 -19.27 27.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.463 0.649 . . . . 25.0 110.367 -174.348 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.479 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.5 p -140.63 -177.23 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.046 -0.724 . . . . 50.0 109.046 -179.515 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 mm -92.76 129.94 42.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.558 -1.275 . . . . 50.0 107.558 -175.976 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.0 p -110.02 139.06 45.56 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.745 -1.946 . . . . 25.0 105.745 172.201 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -79.84 170.87 15.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.549 -0.537 . . . . 50.0 109.549 -176.022 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.79 -29.43 68.2 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 116.842 -0.163 . . . . 50.0 111.27 178.555 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -67.77 -36.82 81.17 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 121.344 0.592 . . . . 50.0 110.867 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -69.47 -38.98 77.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.919 -0.771 . . . . 50.0 108.919 177.002 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.1 -33.57 74.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 50.0 112.274 178.053 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -55.91 -24.51 38.03 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.486 0.921 . . . . 50.0 113.486 178.709 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -64.04 -27.04 68.84 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.687 0.625 . . . . 50.0 112.687 178.186 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -77.1 -12.86 60.0 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.25 0.463 . . . . 50.0 112.25 179.229 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.26 154.06 41.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.705 1.24 . . . . 50.0 112.31 -172.378 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t30 . . . . . 0 C--O 1.216 -0.698 0 CA-C-O 123.788 1.756 . . . . 50.0 110.586 175.276 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.843 -0.598 . . . . 25.0 109.661 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.7 136.07 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 179.51 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -78.49 127.52 32.28 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.182 0.515 . . . . 50.0 111.206 -176.002 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -159.76 150.6 19.28 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 104.202 -2.518 . . . . 50.0 104.202 173.001 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.479 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.3 m-70 -72.01 145.96 47.99 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.528 -1.286 . . . . 50.0 107.528 170.734 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.54 113.77 19.75 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.721 0.408 . . . . 50.0 111.395 -177.039 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 99.7 m -132.48 152.5 51.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.449 -0.574 . . . . 50.0 109.449 175.409 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.63 -131.28 43.26 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.984 175.437 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.4 t -59.39 -32.49 70.19 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -33.99 76.27 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.326 -0.859 . . . . 50.0 111.225 179.347 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.2 tp -67.8 -42.95 80.8 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 109.354 -0.61 . . . . 50.0 109.354 178.01 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.32 -42.79 97.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.592 178.295 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.59 -36.4 83.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.884 0.373 . . . . 50.0 110.836 -179.484 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.03 -39.05 72.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.239 0.542 . . . . 25.0 109.806 -179.966 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.73 -29.39 69.36 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.261 0.838 . . . . 50.0 113.261 -177.597 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -58.65 -40.07 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.119 174.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.89 -45.57 60.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.91 0.707 . . . . 50.0 112.91 179.582 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -72.7 -43.53 61.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.131 0.491 . . . . 50.0 111.161 -173.225 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m -85.1 -16.11 41.68 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.223 -0.298 . . . . 50.0 111.27 -178.417 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.89 -134.02 22.44 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-O 122.188 0.882 . . . . 25.0 114.182 177.802 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -69.6 -15.07 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 114.287 1.217 . . . . 50.0 114.287 -177.325 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.41 -23.14 60.11 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.916 0.389 . . . . 50.0 110.118 -178.039 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.99 174.92 47.69 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.598 -0.601 . . . . 50.0 111.598 -179.577 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -160.79 176.14 11.81 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 -177.827 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -137.04 163.17 31.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.539 -1.652 . . . . 50.0 106.539 178.119 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.322 -0.615 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 177.747 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.674 -0.57 . . . . 25.0 111.674 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.7 tt -62.86 -29.22 46.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.54 -39.93 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 121.918 -0.489 . . . . 50.0 110.495 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -62.58 -41.36 98.89 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.914 -0.491 . . . . 25.0 111.39 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.37 -40.89 83.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.834 0.35 . . . . 50.0 110.338 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -79.77 -30.63 40.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.38 0.511 . . . . 50.0 112.38 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.1 m -73.91 -47.88 34.74 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.615 -0.434 . . . . 50.0 111.685 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 t -88.16 -17.53 30.73 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.543 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.4 t -143.27 -168.67 2.86 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.586 -0.894 . . . . 50.0 108.586 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mt -107.18 105.49 18.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.537 0.684 . . . . 50.0 111.096 -169.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 m -74.08 122.4 22.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.0 p -75.75 169.87 17.28 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.573 -1.64 . . . . 50.0 106.573 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.92 -27.9 65.71 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 122.268 -0.27 . . . . 50.0 111.447 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -67.69 -38.87 84.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.904 0.383 . . . . 50.0 110.897 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -70.3 -39.15 75.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.138 -0.69 . . . . 50.0 109.138 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.498 -0.773 . . . . 50.0 112.879 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -52.19 -30.98 29.61 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.317 0.858 . . . . 50.0 113.317 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -60.82 -26.89 67.65 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.802 1.038 . . . . 50.0 113.802 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -71.67 -4.85 29.66 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.989 0.366 . . . . 50.0 111.989 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -143.39 -178.33 5.82 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.735 0.779 . . . . 50.0 110.409 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--O 1.212 -0.917 0 CA-C-O 122.852 1.311 . . . . 50.0 111.961 178.732 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.2 t -113.09 130.91 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 107.335 -1.358 . . . . 25.0 107.335 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -73.94 135.55 43.25 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.661 0.744 . . . . 50.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -160.32 148.86 16.85 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 105.096 -2.187 . . . . 50.0 105.096 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.543 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 81.9 m-70 -66.96 141.47 57.6 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.691 -1.966 . . . . 50.0 105.691 167.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.8 mt -126.76 105.41 8.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.205 0.526 . . . . 50.0 111.899 -172.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.75 157.18 46.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.13 -1.063 . . . . 50.0 108.13 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.68 -141.09 47.48 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.627 -0.797 . . . . 25.0 112.282 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -59.91 -28.86 67.95 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -61.55 -40.44 94.7 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.757 -0.589 . . . . 50.0 110.285 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.63 -43.5 89.33 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.906 -0.405 . . . . 50.0 109.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.08 -46.39 96.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.893 0.377 . . . . 25.0 111.195 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -69.36 -28.65 66.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.666 -0.646 . . . . 50.0 112.147 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.06 74.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.45 -32.79 74.6 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.856 0.687 . . . . 50.0 112.856 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -56.97 -42.03 79.41 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.982 0.42 . . . . 25.0 110.028 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.8 -44.04 64.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.454 0.909 . . . . 50.0 113.454 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.5 t -73.07 -40.9 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 50.0 110.89 -173.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.5 m -83.44 -22.3 32.67 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.649 -0.42 . . . . 50.0 111.126 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.28 -143.01 48.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.461 -0.876 . . . . 25.0 112.753 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.01 -9.27 37.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.338 1.236 . . . . 50.0 114.338 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -70.62 -22.59 62.51 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.998 -0.439 . . . . 50.0 111.192 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.81 178.88 47.27 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 109.501 -1.44 . . . . 50.0 109.501 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -160.55 176.25 11.8 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -134.0 168.1 19.41 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.147 -1.057 . . . . 50.0 108.147 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -135.73 152.7 51.41 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.97 88.0 16.26 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-O 121.546 0.688 . . . . 25.0 109.568 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.3 164.79 30.46 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 120.944 1.096 . . . . 50.0 111.128 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -142.41 106.06 4.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 122.394 1.092 . . . . 50.0 110.765 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.211 -0.95 0 CA-C-O 125.166 2.413 . . . . 25.0 111.147 179.424 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.044 0 CA-C-O 118.943 -0.92 . . . . 25.0 111.731 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.2 tt -65.74 -36.52 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.818 1.309 . . . . 25.0 112.8 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.15 -40.83 88.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -58.54 -42.59 88.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.641 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -64.02 -39.99 95.33 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 121.015 -0.274 . . . . 50.0 111.461 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.0 m -73.28 -31.85 64.31 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.141 -0.623 . . . . 50.0 111.471 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.3 m -71.72 -45.21 62.5 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.979 -0.288 . . . . 50.0 111.406 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 t -88.03 -21.71 24.62 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.492 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 7.6 t -140.18 -172.58 3.45 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.049 -0.407 . . . . 50.0 110.39 -175.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mm -94.82 111.12 24.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 121.653 -0.654 . . . . 50.0 111.295 -170.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 m -90.0 111.82 23.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -74.37 170.63 15.25 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.792 -1.188 . . . . 50.0 107.792 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.68 -30.23 65.3 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 112.38 0.511 . . . . 50.0 112.38 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -68.88 -38.92 80.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.255 0.55 . . . . 50.0 111.061 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -68.41 -37.8 80.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.011 -0.737 . . . . 50.0 109.011 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.13 -34.37 78.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.56 -0.745 . . . . 50.0 112.421 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.11 -23.52 55.21 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.197 0.814 . . . . 50.0 113.197 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.1 -27.0 68.62 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 122.037 -0.415 . . . . 50.0 112.038 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -74.4 -19.09 60.55 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.063 -0.398 . . . . 50.0 110.728 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.3 m -83.47 73.93 10.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.507 0.67 . . . . 50.0 109.347 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 . . . . . 0 N--CA 1.481 1.096 0 C-N-CA 125.769 1.628 . . . . 50.0 114.81 179.49 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.1 t80 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.933 -0.556 . . . . 25.0 109.707 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 68.4 t -124.31 127.59 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 107.056 -1.461 . . . . 25.0 107.056 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -69.13 130.25 42.17 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 109.891 -0.411 . . . . 50.0 109.891 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.7 151.66 20.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.894 -2.261 . . . . 50.0 104.894 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.492 ' HD1' ' C ' ' A' ' 9' ' ' SER . 63.1 m-70 -69.13 144.75 53.79 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 106.645 -1.613 . . . . 50.0 106.645 170.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -127.11 105.82 8.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.078 0.466 . . . . 50.0 110.832 -173.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -138.02 160.0 40.54 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.53 -139.25 48.36 Favored Glycine 0 CA--C 1.516 0.111 0 C-N-CA 120.737 -0.744 . . . . 25.0 111.655 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -30.49 68.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -62.83 -33.3 74.95 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.839 -0.538 . . . . 50.0 111.216 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.98 -48.03 72.6 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.72 -0.392 . . . . 50.0 110.802 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.13 -29.42 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.174 -0.61 . . . . 25.0 111.169 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -64.07 -39.93 95.16 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.764 -0.458 . . . . 50.0 109.764 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.22 82.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.083 -0.34 . . . . 25.0 110.083 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.91 -31.41 72.63 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.508 0.558 . . . . 50.0 112.508 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -61.01 -37.66 83.33 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.173 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.85 -43.3 65.73 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.304 0.483 . . . . 50.0 112.304 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.6 t -73.09 -42.67 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 121.116 0.484 . . . . 50.0 111.505 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.71 -20.9 35.17 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.175 -0.61 . . . . 50.0 110.51 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.72 -156.71 52.47 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.483 -0.865 . . . . 25.0 111.849 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.58 -6.35 10.75 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.734 1.013 . . . . 50.0 113.734 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -69.46 -23.93 63.73 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.972 -0.455 . . . . 50.0 110.41 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.19 172.53 44.7 Favored Glycine 0 C--O 1.225 -0.457 0 N-CA-C 111.599 -0.601 . . . . 50.0 111.599 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -158.27 175.87 13.19 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.281 -2.489 . . . . 25.0 104.281 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -131.41 162.68 29.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -141.87 141.74 33.08 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 105.95 -1.87 . . . . 25.0 105.95 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.8 p -120.76 94.9 49.01 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -70.18 156.18 62.86 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 117.996 -0.869 . . . . 50.0 109.851 175.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -140.0 140.36 36.23 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.21 -1.033 . . . . 50.0 108.21 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.207 -1.154 0 CA-C-O 123.777 1.751 . . . . 25.0 113.741 -178.312 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 111.573 -0.611 . . . . 25.0 111.573 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt -62.21 -33.94 61.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 117.5 0.65 . . . . 25.0 112.282 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.92 -33.47 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 122.131 -0.355 . . . . 50.0 111.637 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -65.23 -40.78 94.51 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 121.368 -0.832 . . . . 25.0 111.061 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.36 -41.29 93.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.175 0.512 . . . . 50.0 110.067 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 m -75.29 -29.58 60.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.564 0.579 . . . . 50.0 112.564 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -72.67 -50.13 26.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.874 0.369 . . . . 50.0 110.584 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -87.98 -24.15 23.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.58 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 51.1 m -132.89 179.07 6.4 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 122.087 -0.383 . . . . 50.0 110.906 -177.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -70.04 117.45 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.778 0.799 . . . . 50.0 111.396 -167.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 t -92.42 83.23 4.95 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.6 p -71.41 168.82 16.64 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.949 -0.76 . . . . 50.0 108.949 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -58.13 -29.58 65.65 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 122.188 -0.32 . . . . 50.0 111.776 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.52 -38.2 77.44 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 121.36 0.6 . . . . 50.0 110.942 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.34 -39.37 81.92 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 109.017 -0.735 . . . . 50.0 109.017 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.55 -36.86 85.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.945 -0.57 . . . . 50.0 111.673 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.25 -26.37 66.4 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.378 0.51 . . . . 50.0 112.378 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -67.42 -26.97 66.68 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.099 0.407 . . . . 50.0 112.099 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -76.48 -15.99 59.77 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.419 0.628 . . . . 50.0 109.78 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.83 114.5 21.68 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.378 -0.601 . . . . 50.0 109.378 -175.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 115.057 1.503 . . . . 50.0 115.057 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 81.9 t80 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 119.199 -0.429 . . . . 25.0 109.944 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.8 t -116.67 118.15 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -66.17 135.45 54.55 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 120.97 0.414 . . . . 50.0 110.495 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -160.3 159.09 30.88 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 104.608 -2.367 . . . . 50.0 104.608 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.58 ' HD1' ' C ' ' A' ' 9' ' ' SER . 62.7 m-70 -68.39 140.79 55.85 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 105.578 -2.008 . . . . 50.0 105.578 168.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -133.27 119.45 19.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.969 0.414 . . . . 50.0 110.23 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -142.53 156.68 45.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.832 -0.803 . . . . 50.0 108.832 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.81 -143.11 48.39 Favored Glycine 0 CA--C 1.516 0.104 0 C-N-CA 120.655 -0.783 . . . . 25.0 111.884 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -28.13 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.404 0.891 . . . . 25.0 113.404 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -36.27 78.09 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.192 -0.317 . . . . 50.0 110.871 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.5 tp -66.21 -44.17 84.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.678 -0.489 . . . . 50.0 109.678 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.74 -42.15 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.859 -0.61 . . . . 25.0 110.709 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -63.35 -34.27 77.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.98 0.419 . . . . 50.0 111.136 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.8 61.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.532 -0.304 . . . . 25.0 110.653 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 mt -65.27 -31.11 72.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.743 0.275 . . . . 50.0 111.743 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -61.62 -35.33 77.58 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.741 -0.384 . . . . 25.0 110.567 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -71.87 -42.57 66.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.141 0.496 . . . . 50.0 112.275 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -78.51 -41.53 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 50.0 111.254 -172.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.2 m -80.57 -20.22 43.85 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.767 -0.373 . . . . 50.0 110.394 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.48 -144.85 47.5 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.138 -1.029 . . . . 25.0 111.06 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -64.68 -18.3 64.86 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.715 1.376 . . . . 50.0 114.715 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -70.53 -17.59 62.94 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.239 0.829 . . . . 50.0 113.239 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.59 178.96 50.72 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.97 -0.633 . . . . 50.0 113.153 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -163.56 179.1 7.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -136.63 168.56 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.416 -1.327 . . . . 50.0 107.416 173.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -142.75 150.67 40.38 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.189 -2.152 . . . . 25.0 105.189 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 45.3 p -113.26 84.94 7.88 Favored Pre-proline 0 C--O 1.241 0.642 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.23 168.23 22.04 Favored 'Trans proline' 0 C--N 1.344 0.3 0 N-CA-C 111.131 -0.373 . . . . 50.0 111.131 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -130.26 106.73 8.77 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.262 -1.014 . . . . 50.0 108.262 174.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.213 -0.833 0 CA-C-O 125.133 2.397 . . . . 25.0 112.149 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.559 0 CA-C-O 118.721 -1.044 . . . . 25.0 111.349 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -61.67 -36.42 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 118.719 1.259 . . . . 25.0 113.346 -171.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 t -68.18 -40.42 82.81 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 O-C-N 121.532 -0.73 . . . . 50.0 109.894 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -61.81 -43.66 98.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.044 -0.526 . . . . 25.0 109.782 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -67.42 -38.14 84.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.293 -0.412 . . . . 50.0 110.724 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.1 m -73.04 -22.11 60.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.856 0.688 . . . . 50.0 112.856 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.32 -46.17 12.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.428 -0.351 . . . . 50.0 111.147 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -82.26 -23.58 35.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.536 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 8.2 t -137.7 -178.41 5.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.871 -0.518 . . . . 50.0 109.864 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -75.44 120.96 26.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.731 0.777 . . . . 50.0 111.073 -168.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.74 77.46 8.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.318 -0.856 . . . . 25.0 109.272 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.8 m -64.3 159.69 20.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.885 -0.598 . . . . 50.0 109.817 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -53.42 -29.04 33.07 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.829 1.048 . . . . 50.0 113.829 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.03 -38.0 89.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.364 0.602 . . . . 50.0 111.564 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -74.53 -38.9 62.65 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.306 -0.627 . . . . 50.0 109.306 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.7 mt -59.9 -36.88 77.9 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.828 -0.624 . . . . 50.0 111.994 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -56.92 -31.85 65.35 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.699 0.629 . . . . 50.0 112.699 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.54 -26.94 67.37 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.015 0.746 . . . . 50.0 113.015 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -69.4 -21.87 63.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.232 0.539 . . . . 50.0 110.24 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 m -88.06 133.02 34.07 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.85 -1.167 . . . . 50.0 107.85 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 t30 . . . . . 0 N--CA 1.482 1.156 0 C-N-CA 125.287 1.435 . . . . 50.0 114.377 -176.169 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.3 t -123.56 133.49 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 106.623 -1.621 . . . . 25.0 106.623 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -74.46 132.58 42.04 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.886 -0.726 . . . . 50.0 110.637 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -160.23 147.91 16.43 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.937 -1.875 . . . . 50.0 105.937 170.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.536 ' HD1' ' C ' ' A' ' 9' ' ' SER . 67.0 m-70 -68.91 145.17 53.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.989 -1.856 . . . . 50.0 105.989 168.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.6 mt -133.22 125.47 29.45 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.089 0.774 . . . . 50.0 113.089 -174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -136.75 160.3 39.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.995 -0.743 . . . . 50.0 108.995 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.82 -134.44 43.56 Favored Glycine 0 C--O 1.227 -0.284 0 N-CA-C 114.606 0.602 . . . . 25.0 114.606 172.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -60.47 -31.91 70.9 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -63.9 -36.97 85.7 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.868 -0.52 . . . . 50.0 110.652 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.27 -42.5 83.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.441 -0.577 . . . . 50.0 109.441 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.8 -41.64 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.13 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -63.06 -33.01 74.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.003 0.43 . . . . 50.0 111.018 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.34 -34.09 63.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.737 0.303 . . . . 25.0 110.97 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.7 mt -64.71 -33.31 75.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.67 0.248 . . . . 50.0 111.67 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -57.65 -39.97 78.23 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 120.856 0.36 . . . . 25.0 110.481 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.02 -45.13 62.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.189 0.811 . . . . 50.0 113.189 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -72.18 -42.94 66.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.055 -0.521 . . . . 50.0 111.493 -171.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.9 m -95.2 -11.42 28.1 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.132 -0.627 . . . . 50.0 111.478 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.84 -147.1 44.15 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.413 -0.899 . . . . 25.0 113.968 174.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -67.38 -6.47 19.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.814 1.042 . . . . 50.0 113.814 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -72.97 -19.42 61.23 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 122.23 -0.294 . . . . 50.0 110.32 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.74 174.08 50.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.111 -0.566 . . . . 50.0 112.66 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -165.53 176.89 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.404 -2.073 . . . . 25.0 105.404 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -134.49 167.58 20.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.252 -1.018 . . . . 50.0 108.252 172.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -141.51 148.18 38.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.761 -1.94 . . . . 25.0 105.761 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 38.5 p -107.76 91.65 7.75 Favored Pre-proline 0 C--O 1.24 0.578 0 CA-C-O 120.911 0.386 . . . . 25.0 111.894 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -75.09 158.68 41.71 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 117.676 -1.082 . . . . 50.0 111.625 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -85.87 85.84 7.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.011 -0.737 . . . . 50.0 109.011 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 C--O 1.211 -0.93 0 CA-C-O 124.871 2.272 . . . . 25.0 112.28 -179.593 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.585 -0.606 . . . . 25.0 111.585 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -64.2 -32.44 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 113.118 0.785 . . . . 25.0 113.118 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.37 -33.11 60.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 O-C-N 121.773 -0.58 . . . . 50.0 110.77 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -67.03 -45.53 77.19 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.407 -0.808 . . . . 25.0 110.201 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -57.95 -42.31 84.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.19 -0.3 . . . . 50.0 110.19 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 t -77.24 -29.16 53.95 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.893 0.701 . . . . 50.0 112.893 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.84 -45.22 21.26 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.419 -0.512 . . . . 50.0 111.855 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -88.0 -22.86 24.03 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.508 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 49.7 m -136.28 175.39 9.65 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 110.151 -0.315 . . . . 50.0 110.151 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mm -76.75 125.92 36.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 O-C-N 121.705 -0.622 . . . . 50.0 109.784 -171.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -104.48 108.13 19.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 172.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 p -73.19 173.06 9.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.035 -1.468 . . . . 50.0 107.035 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.75 -31.61 64.76 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 111.862 0.319 . . . . 50.0 111.862 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -66.81 -38.83 87.23 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.942 -0.474 . . . . 50.0 111.375 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -66.54 -39.59 88.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.706 -0.85 . . . . 50.0 108.706 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.77 -36.49 83.7 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.477 -0.783 . . . . 50.0 112.535 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -55.14 -27.56 46.3 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.396 0.888 . . . . 50.0 113.396 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -63.18 -26.81 68.98 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.582 0.586 . . . . 50.0 112.582 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -74.28 -2.71 26.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.431 0.292 . . . . 50.0 110.935 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 m -115.52 146.97 41.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.388 0.613 . . . . 50.0 110.418 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.7 t30 . . . . . 0 C--O 1.207 -1.158 0 CA-C-O 124.63 2.157 . . . . 50.0 113.299 -179.264 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 119.251 -0.404 . . . . 25.0 109.945 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t -97.7 112.28 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.732 -1.211 . . . . 25.0 107.732 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -68.74 131.92 45.96 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 121.175 0.512 . . . . 50.0 110.656 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -160.14 158.45 30.22 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 103.926 -2.62 . . . . 50.0 103.926 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.508 ' HD1' ' C ' ' A' ' 9' ' ' SER . 54.6 m-70 -75.92 149.6 37.69 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 105.752 -1.944 . . . . 50.0 105.752 166.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.53 129.89 48.18 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.652 0.66 . . . . 50.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 98.1 m -140.16 159.99 40.94 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.226 -0.657 . . . . 50.0 109.226 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.2 -140.53 46.55 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 121.113 -0.565 . . . . 25.0 113.306 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -30.88 68.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -62.78 -31.82 72.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.046 -0.409 . . . . 50.0 111.115 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.9 -48.03 64.35 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.128 -0.229 . . . . 50.0 110.969 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.32 -29.27 38.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 119.68 -0.808 . . . . 25.0 110.721 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -62.81 -40.91 98.83 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.898 -0.501 . . . . 50.0 110.21 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.75 87.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.894 0.378 . . . . 25.0 110.251 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.55 -34.62 78.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.143 0.423 . . . . 50.0 112.143 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -61.61 -36.37 80.53 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.84 -48.09 48.5 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.212 0.819 . . . . 50.0 113.212 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.02 -41.82 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.189 0.518 . . . . 50.0 111.074 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.3 m -101.85 -8.51 21.56 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.174 0.805 . . . . 50.0 113.174 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.36 -141.57 41.09 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.024 -1.084 . . . . 25.0 114.038 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.48 -9.19 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 115.604 1.705 . . . . 50.0 115.604 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -75.32 -12.31 60.24 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.179 0.899 . . . . 50.0 111.781 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.24 177.43 51.7 Favored Glycine 0 C--O 1.237 0.292 0 C-N-CA 121.144 -0.55 . . . . 50.0 112.325 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -163.03 177.32 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -130.18 166.02 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.42 -1.696 . . . . 50.0 106.42 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -140.43 143.42 35.58 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.891 -0.506 . . . . 25.0 110.226 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 46.2 p -105.09 95.96 10.28 Favored Pre-proline 0 C--O 1.241 0.613 0 CA-C-N 116.023 -0.535 . . . . 25.0 110.2 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.96 167.54 26.84 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 118.036 -0.843 . . . . 50.0 112.07 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -83.18 90.45 7.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.2 -1.037 . . . . 50.0 108.2 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 C--O 1.214 -0.803 0 CA-C-O 124.91 2.29 . . . . 25.0 111.854 -178.187 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.013 0 N-CA-C 111.309 -0.717 . . . . 25.0 111.309 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -57.72 -37.0 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -170.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -63.23 -38.28 81.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 121.596 -0.69 . . . . 50.0 111.277 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -68.19 -37.51 81.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.714 -0.616 . . . . 25.0 110.274 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -62.28 -42.23 99.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.231 -0.44 . . . . 50.0 110.759 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.61 -22.41 47.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.139 0.422 . . . . 50.0 112.139 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.5 t -74.18 -49.97 21.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.743 0.306 . . . . 50.0 110.704 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -88.12 -21.65 24.54 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.305 0.854 . . . . 25.0 113.305 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.548 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 51.8 m -134.96 -173.86 3.43 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.786 -0.82 . . . . 50.0 108.786 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mt -106.9 107.25 22.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.309 0.576 . . . . 50.0 111.659 -169.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.1 m -80.84 119.51 23.5 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 173.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 p -73.57 168.7 18.78 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.837 -1.542 . . . . 50.0 106.837 174.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.32 -32.38 64.59 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 111.983 0.364 . . . . 50.0 111.983 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -64.33 -37.75 88.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.479 0.656 . . . . 50.0 111.618 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -72.89 -37.41 67.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.12 -0.491 . . . . 50.0 110.012 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.44 -32.23 73.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.981 -0.554 . . . . 50.0 112.005 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.94 -25.68 31.15 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.067 0.765 . . . . 50.0 113.067 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -61.16 -30.03 70.15 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.911 0.708 . . . . 50.0 112.911 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -66.41 -17.13 64.61 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.137 0.494 . . . . 50.0 110.934 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 p -137.46 44.0 2.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.317 1.056 . . . . 50.0 108.698 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.0 t30 . . . . . 0 C--O 1.209 -1.058 0 CA-C-O 123.787 1.756 . . . . 50.0 112.552 -179.172 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.3 t80 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.885 -0.578 . . . . 25.0 109.822 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.8 t -120.43 125.07 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.64 130.15 41.03 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 120.845 0.355 . . . . 50.0 110.738 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -159.92 150.36 18.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 105.325 -2.102 . . . . 50.0 105.325 175.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.548 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.5 m-70 -66.97 142.13 57.36 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 106.259 -1.756 . . . . 50.0 106.259 169.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -125.44 105.45 9.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.265 0.555 . . . . 50.0 110.677 -174.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -138.86 157.8 45.38 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.943 -1.132 . . . . 50.0 107.943 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.03 -143.52 48.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.53 -0.843 . . . . 25.0 111.116 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -28.61 67.23 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.36 -37.04 79.44 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.978 -0.452 . . . . 50.0 111.219 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.89 -43.71 87.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 50.0 109.938 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.32 -43.56 94.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.456 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -63.56 -36.22 83.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 50.0 110.735 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.71 76.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.876 0.369 . . . . 25.0 110.191 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.06 -30.46 71.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.773 0.657 . . . . 50.0 112.773 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -60.36 -38.74 84.79 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.316 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.81 -44.59 63.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.439 0.533 . . . . 50.0 112.439 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.48 -40.69 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.046 -0.525 . . . . 50.0 111.616 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -82.68 -15.83 50.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.521 -0.309 . . . . 50.0 110.764 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.16 -157.95 52.3 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-O 121.9 0.722 . . . . 25.0 112.115 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -67.45 -6.3 18.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.667 0.988 . . . . 50.0 113.667 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -67.11 -26.16 66.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.722 0.296 . . . . 50.0 111.116 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.63 -177.24 53.48 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.542 -1.023 . . . . 50.0 110.542 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -162.77 -179.55 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.836 -1.913 . . . . 25.0 105.836 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -133.23 167.64 20.0 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.992 -1.114 . . . . 50.0 107.992 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -131.37 149.14 52.66 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.746 -1.576 . . . . 25.0 106.746 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.22 90.99 21.84 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 121.292 0.568 . . . . 25.0 109.726 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -78.25 170.39 18.67 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 121.403 1.402 . . . . 50.0 111.566 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -117.94 97.24 5.72 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 122.288 1.042 . . . . 50.0 108.985 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.206 -1.199 0 CA-C-O 123.822 1.772 . . . . 25.0 113.15 -178.295 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 N-CA-C 111.322 -0.711 . . . . 25.0 111.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 tt -60.34 -34.66 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -171.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.87 -43.14 97.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 N-CA-C 109.662 -0.496 . . . . 50.0 109.662 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -68.33 -39.43 81.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.196 -0.315 . . . . 25.0 110.513 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -58.21 -37.91 75.76 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.059 0.224 . . . . 50.0 111.549 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.8 m -86.51 -29.59 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.682 0.623 . . . . 50.0 112.682 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -79.34 -55.6 4.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 -174.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -88.07 -20.39 25.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.049 0.452 . . . . 25.0 111.484 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.523 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 50.4 m -133.55 -164.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.543 -1.28 . . . . 50.0 107.543 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mt -119.23 115.16 46.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.994 -0.743 . . . . 50.0 108.994 -174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -94.54 154.06 17.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.8 p -85.24 167.33 15.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.8 0.333 . . . . 50.0 110.501 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.53 -28.0 68.07 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.089 0.403 . . . . 50.0 112.089 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -67.2 -37.96 84.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 50.0 109.791 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -70.25 -38.41 75.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.355 -0.609 . . . . 50.0 109.355 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.2 mt -60.09 -35.96 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.492 0.553 . . . . 50.0 112.492 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.02 -26.7 60.71 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.238 0.829 . . . . 50.0 113.238 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -63.86 -27.06 68.9 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.886 0.698 . . . . 50.0 112.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -65.89 -27.86 68.52 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.036 0.446 . . . . 50.0 109.848 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.0 m -87.1 51.28 2.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.27 1.033 . . . . 50.0 109.947 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 124.791 2.234 . . . . 50.0 112.372 -177.511 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 119.008 -0.52 . . . . 25.0 109.838 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.6 t -107.47 119.76 57.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -74.34 129.43 37.78 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 120.421 -0.512 . . . . 50.0 110.912 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -159.67 155.52 26.24 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 103.279 -2.86 . . . . 50.0 103.279 172.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 76.8 m-70 -68.16 138.12 55.42 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 106.82 -1.548 . . . . 50.0 106.82 170.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 67.2 mt -126.35 105.3 8.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.289 0.566 . . . . 50.0 111.281 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -139.21 157.22 46.31 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.779 -0.823 . . . . 50.0 108.779 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.43 -137.94 47.26 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.571 -0.823 . . . . 25.0 112.128 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.6 p -61.21 -28.55 69.23 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -64.2 -37.18 86.54 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.672 -0.642 . . . . 50.0 110.537 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.87 -40.04 87.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.736 -0.468 . . . . 50.0 109.736 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.38 -42.95 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.033 0.444 . . . . 25.0 110.453 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -65.54 -31.77 73.0 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.892 -0.505 . . . . 50.0 111.36 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.39 75.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.957 -0.465 . . . . 25.0 109.943 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.2 -32.6 74.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.088 0.403 . . . . 50.0 112.088 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -56.51 -43.53 79.83 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 120.958 0.409 . . . . 25.0 110.132 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.87 -44.23 64.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.229 0.826 . . . . 50.0 113.229 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 82.8 t -72.28 -43.32 65.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.309 -0.405 . . . . 50.0 111.73 -172.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -91.62 -12.87 33.01 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.22 -0.592 . . . . 50.0 110.762 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.69 -147.41 49.94 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-O 122.246 0.915 . . . . 25.0 114.429 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.19 -6.33 17.51 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.626 0.973 . . . . 50.0 113.626 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -71.01 -21.95 62.22 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.848 0.356 . . . . 50.0 110.557 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.69 175.92 51.14 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.276 -1.129 . . . . 50.0 110.276 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -167.46 177.12 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -137.28 165.38 26.3 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.344 -1.724 . . . . 50.0 106.344 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -144.82 143.0 30.41 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -105.63 95.75 10.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.988 0.423 . . . . 25.0 110.765 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.83 153.98 48.27 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 117.045 -1.503 . . . . 50.0 112.264 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -87.2 92.46 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.239 -1.023 . . . . 50.0 108.239 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.206 -1.234 0 CA-C-O 123.707 1.718 . . . . 25.0 113.597 -178.567 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.833 0 CA-C-O 118.93 -0.928 . . . . 25.0 111.607 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.5 tt -67.11 -36.17 76.26 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 118.862 1.331 . . . . 25.0 114.205 -175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.2 -35.87 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.193 -0.942 . . . . 50.0 109.134 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -64.77 -42.91 94.74 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 122.056 -0.402 . . . . 25.0 110.021 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -58.79 -45.05 90.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.719 0.295 . . . . 50.0 111.048 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.2 m -74.65 -25.14 59.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.872 0.323 . . . . 50.0 111.872 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.3 t -83.41 -45.61 13.48 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.926 0.343 . . . . 50.0 111.926 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -81.04 -24.19 38.05 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.08 -0.387 . . . . 25.0 111.939 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.5 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 60.2 m -143.41 -177.68 5.5 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.765 -0.585 . . . . 50.0 109.962 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.7 mm -86.3 134.21 27.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 107.875 -1.157 . . . . 50.0 107.875 -174.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 p -124.0 141.03 52.4 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 173.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.4 p -89.41 173.88 8.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.337 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.67 -28.59 65.88 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 112.273 0.472 . . . . 50.0 112.273 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -69.71 -35.51 75.11 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.372 0.606 . . . . 50.0 110.729 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -72.72 -33.49 66.46 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.757 -0.831 . . . . 50.0 108.757 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.92 -35.12 80.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.783 -0.644 . . . . 50.0 112.606 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.22 -25.24 46.65 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.788 0.662 . . . . 50.0 112.788 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -61.24 -26.8 67.99 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.171 0.804 . . . . 50.0 113.171 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -73.31 1.77 8.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.736 0.414 . . . . 50.0 111.494 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -116.79 147.07 42.41 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.967 -1.123 . . . . 50.0 107.967 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 124.382 2.039 . . . . 50.0 111.285 178.602 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 t80 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 118.939 -0.553 . . . . 25.0 109.684 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -114.03 127.84 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -75.98 126.69 31.48 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 120.636 -0.425 . . . . 50.0 110.303 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -160.03 148.04 16.84 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 105.647 -1.983 . . . . 50.0 105.647 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.5 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.9 m-70 -69.61 144.6 52.95 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.834 -1.173 . . . . 50.0 107.834 170.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 mt -129.35 105.26 8.0 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 122.833 0.453 . . . . 50.0 109.918 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 62.5 m -110.14 -71.89 0.74 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.682 0.993 . . . . 50.0 113.682 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.08 -117.13 2.02 Favored Glycine 0 C--O 1.225 -0.433 0 CA-C-N 116.193 -0.458 . . . . 25.0 113.258 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.0 p -56.69 -31.89 64.9 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -58.04 -38.07 75.56 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.029 0.381 . . . . 50.0 112.029 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 29.2 tp -68.77 -41.96 78.12 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 109.532 -0.544 . . . . 50.0 109.532 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.55 -44.64 96.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.195 0.521 . . . . 25.0 110.425 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.02 -34.27 77.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 50.0 110.833 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.18 76.07 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.58 -32.37 73.66 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.536 0.569 . . . . 50.0 112.536 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -59.05 -37.94 78.2 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 110.207 -0.294 . . . . 25.0 110.207 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.94 -46.01 59.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.575 0.583 . . . . 50.0 112.575 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.0 -44.06 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.918 -171.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.49 -9.89 39.77 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.05 -0.66 . . . . 50.0 111.41 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.99 -145.73 45.8 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.103 -1.046 . . . . 25.0 113.073 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -70.73 -8.15 50.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 115.279 1.585 . . . . 50.0 115.279 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -74.71 -15.1 60.8 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.094 0.861 . . . . 50.0 112.116 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.21 173.54 48.57 Favored Glycine 0 C--O 1.228 -0.229 0 C-N-CA 121.118 -0.563 . . . . 50.0 111.714 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -164.46 178.67 7.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -129.05 160.26 33.34 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -104.04 154.61 19.49 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.723 -1.954 . . . . 25.0 105.723 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 40.8 p -104.27 93.52 5.78 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 109.72 -0.474 . . . . 25.0 109.72 177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -76.83 -178.75 4.78 Favored 'Trans proline' 0 C--N 1.351 0.664 0 CA-C-O 121.254 0.439 . . . . 50.0 112.533 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -117.89 97.48 5.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.284 -1.006 . . . . 50.0 108.284 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.214 -0.77 0 CA-C-O 124.698 2.189 . . . . 25.0 111.366 -179.029 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 CA-C-O 119.245 -0.753 . . . . 25.0 111.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -62.42 -33.6 60.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 -172.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.68 -31.92 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 121.836 -0.54 . . . . 50.0 112.342 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.13 -33.12 72.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -177.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.97 -25.91 67.9 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 112.745 0.646 . . . . 50.0 112.745 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.9 m -110.31 2.87 19.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.935 0.398 . . . . 50.0 111.593 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -109.27 -51.28 2.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.413 0.523 . . . . 50.0 112.413 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -78.32 -20.96 50.33 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.292 0.568 . . . . 25.0 110.379 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -143.05 165.95 25.97 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 102.031 -3.322 . . . . 50.0 102.031 174.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.63 157.9 3.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 107.706 -1.22 . . . . 50.0 107.706 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -131.61 157.74 42.87 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 104.584 -2.376 . . . . 25.0 104.584 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.8 p -84.46 169.49 14.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.882 0.372 . . . . 50.0 110.759 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.48 -27.84 67.88 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 121.105 0.479 . . . . 50.0 111.341 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -68.47 -34.87 76.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.535 0.683 . . . . 50.0 110.048 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -73.26 -35.43 66.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.745 -0.661 . . . . 50.0 110.056 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.54 -32.09 72.98 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.032 -0.531 . . . . 50.0 111.492 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.17 -23.66 49.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.529 0.937 . . . . 50.0 113.529 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -66.3 -29.41 69.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.301 0.572 . . . . 50.0 111.839 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -74.45 -20.19 60.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.222 -0.659 . . . . 50.0 109.222 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.483 ' C ' ' HXT' ' A' ' 21' ' ' ASN . 12.8 m -80.54 48.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.349 0.87 . . . . 50.0 113.349 -175.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.483 ' HXT' ' C ' ' A' ' 20' ' ' CYS . 24.8 t30 . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 123.772 1.749 . . . . 50.0 114.649 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.3 t80 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 119.095 -0.479 . . . . 25.0 109.744 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.3 t -126.19 127.19 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -73.36 129.01 37.1 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -158.04 147.58 19.78 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 104.711 -2.329 . . . . 50.0 104.711 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -63.77 111.45 2.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.21 -0.45 . . . . 50.0 110.589 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.1 mt -125.3 138.91 54.08 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 107.409 -1.33 . . . . 50.0 107.409 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -153.31 163.02 40.66 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.965 -1.494 . . . . 50.0 106.965 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.98 -140.6 44.01 Favored Glycine 0 N--CA 1.453 -0.188 0 N-CA-C 110.757 -0.937 . . . . 25.0 110.757 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.3 p -58.42 -29.87 66.44 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.448 0.536 . . . . 25.0 112.448 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -70.65 -28.31 64.71 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.519 -0.738 . . . . 50.0 112.456 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 tp -73.61 -37.69 65.32 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 108.476 -0.935 . . . . 50.0 108.476 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.2 t -61.26 -39.26 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.206 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.47 -34.87 78.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.013 -0.429 . . . . 50.0 110.815 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -37.41 66.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.423 . . . . 25.0 109.916 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.49 -34.87 78.72 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.14 -0.482 . . . . 50.0 111.294 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -57.97 -38.91 76.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.329 0.513 . . . . 25.0 111.088 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -71.79 -43.67 65.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.862 0.689 . . . . 50.0 112.862 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -76.45 -37.98 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.454 0.645 . . . . 50.0 110.899 -173.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 55.9 m -82.87 -22.01 34.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.118 -0.492 . . . . 50.0 111.386 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.54 -145.43 49.69 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.175 -1.17 . . . . 25.0 110.175 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mp0 -71.87 -9.96 59.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 115.004 1.483 . . . . 50.0 115.004 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -73.56 -16.04 61.27 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.938 1.088 . . . . 50.0 113.938 -174.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.44 176.16 51.27 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.824 -0.703 . . . . 50.0 112.523 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -165.39 -177.58 4.55 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -129.16 161.87 29.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.74 -0.467 . . . . 50.0 109.74 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -146.19 142.01 28.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 82.0 p -114.51 100.87 53.8 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-O 120.651 0.262 . . . . 25.0 110.883 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.49 162.43 40.05 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 118.3 -0.667 . . . . 50.0 112.357 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -86.98 85.05 7.23 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.151 -0.685 . . . . 50.0 109.151 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.213 -0.865 0 CA-C-O 124.655 2.169 . . . . 25.0 111.64 178.904 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.605 0 CA-C-O 119.08 -0.844 . . . . 25.0 111.72 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -62.59 -30.39 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.533 1.167 . . . . 25.0 113.228 -174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.2 t -67.05 -41.46 87.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 O-C-N 121.464 -0.772 . . . . 50.0 109.83 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.32 -38.11 89.86 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -58.79 -42.57 89.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.984 -0.553 . . . . 50.0 111.274 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -78.9 -25.47 43.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.56 0.578 . . . . 50.0 112.56 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.04 -50.29 10.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.464 0.913 . . . . 50.0 113.464 -176.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -87.24 -23.76 24.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.976 0.417 . . . . 25.0 111.109 -173.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.505 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.8 m -135.67 -179.25 5.53 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.948 -0.39 . . . . 50.0 109.948 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mm -87.9 131.75 34.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.479 -1.304 . . . . 50.0 107.479 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -117.92 136.23 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 172.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p -82.85 173.2 12.05 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.008 -0.367 . . . . 50.0 110.008 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -59.37 -29.37 67.65 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 111.726 0.269 . . . . 50.0 111.726 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -68.21 -35.03 77.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.725 0.774 . . . . 50.0 110.552 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -73.45 -33.67 65.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.072 -0.714 . . . . 50.0 109.072 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.04 -33.13 74.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.099 -0.5 . . . . 50.0 112.029 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.53 -29.21 64.16 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.071 -0.393 . . . . 50.0 111.706 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.58 -26.89 68.25 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -67.63 -24.51 65.47 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 122.3 -0.25 . . . . 50.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.84 36.89 3.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.245 1.022 . . . . 50.0 110.308 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 t30 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 123.524 1.631 . . . . 50.0 114.975 -177.164 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 t80 . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.62 117.58 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.24 129.14 38.95 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 110.068 -0.345 . . . . 50.0 110.068 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -160.01 150.52 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 105.355 -2.091 . . . . 50.0 105.355 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.8 m-70 -69.87 144.24 52.58 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.507 -1.664 . . . . 50.0 106.507 168.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.1 mt -129.2 112.82 14.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.515 0.561 . . . . 50.0 112.515 -172.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 70.7 m -131.8 156.69 45.56 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.484 -0.562 . . . . 50.0 109.484 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.71 -137.11 43.7 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 121.272 -0.489 . . . . 25.0 113.51 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -27.98 66.06 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 113.665 0.987 . . . . 25.0 113.665 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -39.91 95.0 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.603 -0.686 . . . . 50.0 109.893 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 tp -66.99 -41.47 86.69 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.66 -0.496 . . . . 50.0 109.66 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.93 -43.33 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.659 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.95 -32.7 74.35 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.856 -0.528 . . . . 50.0 111.402 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.65 78.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.09 -0.707 . . . . 25.0 109.09 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.1 -33.45 76.07 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.14 0.422 . . . . 50.0 112.14 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -55.06 -44.57 74.87 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.031 0.443 . . . . 25.0 110.378 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.95 -43.58 65.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.433 0.901 . . . . 50.0 113.433 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.0 t -74.58 -40.63 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.259 0.552 . . . . 50.0 111.546 -173.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.5 m -81.78 -22.52 37.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.619 -0.511 . . . . 50.0 109.619 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.29 -150.98 52.1 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-O 121.861 0.701 . . . . 25.0 113.484 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.23 -8.1 22.48 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.866 1.061 . . . . 50.0 113.866 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -70.41 -23.02 62.68 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.304 -0.247 . . . . 50.0 110.899 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.61 177.34 51.71 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 109.916 -1.274 . . . . 50.0 109.916 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -165.58 177.28 7.48 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -134.57 166.17 23.51 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.665 -1.606 . . . . 50.0 106.665 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -140.84 142.67 34.55 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.032 -1.47 . . . . 25.0 107.032 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.53 97.48 46.63 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-O 121.813 0.816 . . . . 25.0 110.062 -177.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -80.06 155.83 22.99 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 120.67 0.913 . . . . 50.0 111.703 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -86.49 84.8 7.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 122.265 1.031 . . . . 50.0 108.914 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.207 -1.171 0 CA-C-O 123.116 1.436 . . . . 25.0 112.386 -179.076 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.755 0 CA-C-O 118.653 -1.082 . . . . 25.0 111.291 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.7 tt -56.53 -43.42 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.69 1.245 . . . . 25.0 114.154 -171.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.47 -40.04 87.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 121.468 -0.77 . . . . 50.0 110.937 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -62.28 -42.83 99.68 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.82 -38.5 91.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 50.0 111.136 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.3 m -74.37 -30.9 62.19 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.543 -0.463 . . . . 50.0 111.646 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.9 m -70.05 -47.96 59.87 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.041 -0.263 . . . . 50.0 110.864 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -88.0 -24.78 23.42 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.776 1.028 . . . . 25.0 113.776 -174.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.493 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 7.6 t -138.34 -170.24 2.77 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.828 -0.545 . . . . 50.0 110.456 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.8 mm -92.65 124.14 44.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 121.72 -0.613 . . . . 50.0 111.408 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 m -104.07 119.79 39.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.9 p -76.39 170.41 16.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.26 -1.385 . . . . 50.0 107.26 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.38 -29.24 65.87 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 111.719 0.266 . . . . 50.0 111.719 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -70.16 -39.28 75.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.114 0.483 . . . . 50.0 111.05 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.08 -36.88 80.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.787 -0.82 . . . . 50.0 108.787 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.18 -33.27 74.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.59 -0.732 . . . . 50.0 112.278 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.64 -24.99 62.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.753 0.649 . . . . 50.0 112.753 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -60.6 -26.91 67.34 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.376 0.51 . . . . 50.0 112.376 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -70.93 -21.74 62.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.322 -0.236 . . . . 50.0 111.346 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.4 m -83.12 67.35 9.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.774 0.797 . . . . 50.0 110.37 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--O 1.212 -0.905 0 CA-C-O 125.023 2.344 . . . . 50.0 111.87 178.679 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.7 t80 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.773 -0.632 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.8 t -124.17 130.45 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -66.96 128.71 37.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.907 0.384 . . . . 50.0 110.729 177.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -159.16 149.08 19.01 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 105.998 -1.853 . . . . 50.0 105.998 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.493 ' HD1' ' C ' ' A' ' 9' ' ' SER . 64.0 m-70 -67.67 144.83 55.3 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.796 -1.557 . . . . 50.0 106.796 170.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -135.78 117.75 15.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.641 0.258 . . . . 50.0 110.766 -175.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -143.38 159.95 41.43 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.349 -0.611 . . . . 50.0 109.349 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -141.18 46.43 Favored Glycine 0 C--O 1.231 -0.071 0 C-N-CA 120.919 -0.658 . . . . 25.0 111.686 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -29.39 67.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -34.16 75.85 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.957 -0.464 . . . . 50.0 111.405 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.25 -43.73 85.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.519 -0.548 . . . . 50.0 109.519 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.75 -41.91 88.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.236 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.68 -36.11 79.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.168 0.509 . . . . 50.0 110.612 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.2 75.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.765 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.28 -30.73 71.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.282 0.475 . . . . 50.0 112.282 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -59.99 -41.7 92.6 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.1 mt -71.75 -41.22 68.7 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.367 0.506 . . . . 50.0 112.367 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.51 -44.15 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.262 -0.426 . . . . 50.0 111.016 -174.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -20.57 27.23 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.9 -0.72 . . . . 50.0 111.751 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.27 -140.68 46.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.615 -0.802 . . . . 25.0 112.379 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.94 -23.56 61.55 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.57 0.952 . . . . 50.0 113.57 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -63.74 -28.12 69.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.43 0.53 . . . . 50.0 112.43 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 -179.27 47.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.838 -0.696 . . . . 50.0 111.907 -177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -166.82 177.66 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 104.461 -2.422 . . . . 25.0 104.461 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -140.08 165.42 27.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.559 -1.645 . . . . 50.0 106.559 171.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -141.23 137.34 32.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.624 -1.251 . . . . 25.0 107.624 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -119.83 96.2 49.43 Favored Pre-proline 0 C--O 1.239 0.528 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -176.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -72.06 154.69 57.56 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 116.535 -1.844 . . . . 50.0 110.099 174.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -135.49 116.12 13.84 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 109.005 -0.739 . . . . 50.0 109.005 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.213 -0.861 0 CA-C-O 125.163 2.411 . . . . 25.0 111.583 -179.05 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.039 0 N-CA-C 111.343 -0.703 . . . . 25.0 111.343 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 tt -59.68 -37.82 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 -171.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.59 -34.76 72.18 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 O-C-N 121.851 -0.53 . . . . 50.0 110.579 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -67.59 -43.26 80.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -61.11 -33.71 73.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.501 . . . . 50.0 111.392 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -83.13 -24.92 32.38 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.175 0.806 . . . . 50.0 113.175 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.5 -58.55 2.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.285 0.846 . . . . 50.0 113.285 -175.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -81.72 -18.29 44.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.223 0.535 . . . . 25.0 110.452 -173.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.558 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 39.7 m -138.98 -165.65 1.88 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.235 -1.394 . . . . 50.0 107.235 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.3 mt -116.23 112.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.587 -0.523 . . . . 50.0 109.587 -173.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -85.29 146.96 26.79 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -81.63 169.88 16.49 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.915 -0.402 . . . . 50.0 109.915 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.15 -29.52 69.83 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 122.276 -0.265 . . . . 50.0 111.13 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -67.24 -36.26 81.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.595 0.712 . . . . 50.0 110.288 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -71.24 -37.51 72.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.87 -0.605 . . . . 50.0 109.48 177.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.93 -35.82 77.72 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 111.874 0.324 . . . . 50.0 111.874 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -55.35 -25.1 32.96 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.069 0.766 . . . . 50.0 113.069 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -64.76 -26.84 68.53 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.602 0.593 . . . . 50.0 112.602 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -67.77 -10.98 57.38 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.855 -0.528 . . . . 50.0 110.594 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.1 m -103.5 22.55 14.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.345 0.593 . . . . 50.0 110.278 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 . . . . . 0 C--O 1.213 -0.844 0 CA-C-O 125.104 2.383 . . . . 50.0 111.59 -177.476 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 p -137.14 143.44 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 107.322 -1.362 . . . . 25.0 107.322 -178.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -77.38 134.0 38.56 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.716 0.77 . . . . 50.0 111.528 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -160.24 152.05 20.06 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 104.426 -2.435 . . . . 50.0 104.426 170.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.0 m-70 -67.3 143.53 56.37 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.235 -1.394 . . . . 50.0 107.235 169.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.4 mt -128.9 105.31 8.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.138 1.162 . . . . 50.0 114.138 -171.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 70.8 m -127.55 154.46 45.15 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.623 -0.51 . . . . 50.0 109.623 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -137.07 50.53 Favored Glycine 0 C--O 1.229 -0.166 0 C-N-CA 120.817 -0.706 . . . . 25.0 113.261 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -27.77 65.15 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -62.03 -40.72 96.69 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 121.877 -0.514 . . . . 50.0 110.396 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.19 -40.52 90.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.008 0.432 . . . . 50.0 109.902 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.67 -44.91 98.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.057 -0.52 . . . . 25.0 110.597 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.41 -31.53 72.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.785 -0.572 . . . . 50.0 111.347 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.44 80.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.82 -32.84 74.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.199 0.444 . . . . 50.0 112.199 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -58.14 -42.02 84.96 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 110.073 -0.343 . . . . 25.0 110.073 175.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.56 -42.01 68.36 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.187 0.81 . . . . 50.0 113.187 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -74.5 -41.33 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.998 0.428 . . . . 50.0 111.386 -174.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -17.73 33.45 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.033 -0.667 . . . . 50.0 111.345 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.5 -154.58 52.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.608 -0.806 . . . . 25.0 112.658 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -65.81 -6.39 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.532 1.308 . . . . 50.0 114.532 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -69.35 -23.12 63.72 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.316 -0.24 . . . . 50.0 111.349 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.51 178.23 52.28 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 109.567 -1.413 . . . . 50.0 109.567 -175.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -163.94 -179.45 6.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.911 -1.885 . . . . 25.0 105.911 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -136.49 169.02 18.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.009 -1.108 . . . . 50.0 108.009 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -136.79 153.09 50.91 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.303 -1.739 . . . . 25.0 106.303 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.86 90.91 44.55 Favored Pre-proline 0 CA--C 1.55 0.971 0 CA-C-O 121.91 0.862 . . . . 25.0 110.829 -176.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -80.37 174.48 11.26 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 121.603 1.535 . . . . 50.0 110.33 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -142.44 156.05 45.15 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 107.482 -1.303 . . . . 50.0 107.482 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.204 -1.305 0 CA-C-O 123.917 1.818 . . . . 25.0 112.524 178.134 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.489 0 N-CA-C 111.278 -0.729 . . . . 25.0 111.278 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 tt -61.18 -32.35 52.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 117.805 0.803 . . . . 25.0 112.627 -171.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.43 -42.99 96.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 O-C-N 122.051 -0.406 . . . . 50.0 109.905 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -65.96 -42.21 90.21 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 122.068 -0.395 . . . . 25.0 110.195 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.73 -38.14 80.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.151 0.282 . . . . 50.0 110.955 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.3 m -81.3 -26.82 35.39 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.317 -0.553 . . . . 50.0 111.921 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 t -72.1 -54.09 10.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.188 0.518 . . . . 50.0 110.602 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -87.85 -18.56 28.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -174.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.483 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 23.9 p -142.49 -174.5 4.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.737 -0.468 . . . . 50.0 109.737 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -89.57 127.63 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 121.514 -0.741 . . . . 50.0 111.504 -168.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 m -109.89 119.12 38.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 168.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -76.15 169.24 18.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.741 -1.578 . . . . 50.0 106.741 175.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.57 -30.13 65.0 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 112.171 0.434 . . . . 50.0 112.171 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -67.44 -36.84 82.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.434 0.635 . . . . 50.0 111.382 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -72.01 -33.59 68.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.378 0.608 . . . . 50.0 109.845 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.97 -32.1 73.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.661 -0.699 . . . . 50.0 111.73 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -57.31 -19.4 22.0 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.132 0.79 . . . . 50.0 113.132 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -65.49 -26.99 68.17 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.676 -0.64 . . . . 50.0 112.194 176.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -73.85 -10.59 59.82 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.832 0.348 . . . . 50.0 111.585 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 131.21 42.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.184 -1.413 . . . . 50.0 107.184 178.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 114.609 1.337 . . . . 50.0 114.609 -178.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.93 -0.557 . . . . 25.0 109.781 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.42 141.34 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.541 -1.281 . . . . 25.0 107.541 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -69.13 136.09 51.69 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 120.911 0.386 . . . . 50.0 110.628 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -160.28 156.08 25.83 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.254 -2.498 . . . . 50.0 104.254 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.483 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.8 m-70 -67.99 141.95 56.1 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 106.124 -1.806 . . . . 50.0 106.124 169.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.3 mt -133.39 113.36 12.47 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.83 0.347 . . . . 50.0 110.906 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -141.64 154.76 45.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.016 -0.735 . . . . 50.0 109.016 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.51 -141.54 47.86 Favored Glycine 0 C--O 1.229 -0.163 0 C-N-CA 120.582 -0.818 . . . . 25.0 111.515 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -29.22 67.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -38.51 85.23 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 122.04 -0.413 . . . . 50.0 110.546 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 tp -67.19 -44.23 80.17 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 109.673 -0.492 . . . . 50.0 109.673 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.19 -43.8 98.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.009 0.433 . . . . 25.0 111.02 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -63.66 -35.02 79.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.165 0.507 . . . . 50.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.18 -38.83 69.0 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.17 -32.6 74.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.384 0.512 . . . . 50.0 112.384 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.55 -40.74 79.54 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 120.945 -0.302 . . . . 25.0 110.35 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.94 -43.85 64.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.03 0.752 . . . . 50.0 113.03 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.58 -42.66 71.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 50.0 111.308 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 m -86.18 -20.79 28.05 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.735 -0.386 . . . . 50.0 111.777 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.57 -129.9 20.96 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-O 122.205 0.892 . . . . 25.0 113.764 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -62.31 -21.53 65.33 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.066 1.506 . . . . 50.0 115.066 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -23.18 61.1 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.636 -0.665 . . . . 50.0 112.385 -177.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.25 172.72 37.84 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.984 -0.846 . . . . 50.0 110.984 -175.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -160.02 176.69 11.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -130.62 161.2 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.257 -1.016 . . . . 50.0 108.257 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -145.68 140.75 27.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.4 118.39 31.13 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -86.0 154.64 9.85 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.211 1.274 . . . . 50.0 112.555 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -98.4 102.45 14.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.39 -0.967 . . . . 50.0 108.39 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.3 p . . . . . 0 C--O 1.209 -1.054 0 CA-C-O 122.906 1.336 . . . . 25.0 111.495 -179.266 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.098 0 CA-C-O 118.799 -1.001 . . . . 25.0 111.428 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -58.51 -43.2 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 119.409 1.605 . . . . 25.0 113.46 -172.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.26 -33.75 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 121.523 -0.735 . . . . 50.0 110.767 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.03 -44.31 89.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -38.22 88.72 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.234 -0.187 . . . . 50.0 111.367 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.5 m -73.79 -17.31 61.1 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.12 0.415 . . . . 50.0 112.12 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.59 -51.46 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.333 -0.394 . . . . 50.0 111.052 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -76.27 -23.5 54.43 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.211 -0.306 . . . . 25.0 111.761 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 49.4 m -136.13 -169.08 2.35 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 107.948 -1.13 . . . . 50.0 107.948 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mt -110.44 113.11 43.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.208 0.527 . . . . 50.0 111.714 -170.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 m -83.36 120.2 25.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 171.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.5 p -72.34 168.4 18.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.651 -1.611 . . . . 50.0 106.651 176.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -57.7 -30.01 65.16 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.963 -0.46 . . . . 50.0 111.577 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -67.11 -38.63 85.98 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 121.455 0.645 . . . . 50.0 111.127 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -70.64 -36.56 73.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.245 -0.65 . . . . 50.0 109.245 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.07 -32.09 73.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.186 -0.461 . . . . 50.0 112.022 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.93 -22.12 47.21 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.434 0.901 . . . . 50.0 113.434 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -62.08 -27.59 69.02 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.91 -0.494 . . . . 50.0 112.093 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -77.22 -16.24 59.14 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.198 0.444 . . . . 50.0 112.198 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.78 61.61 2.48 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.383 1.253 . . . . 50.0 114.383 -171.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.2 t30 . . . . . 0 C--O 1.208 -1.091 0 CA-C-O 124.348 2.023 . . . . 50.0 112.065 175.011 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.9 t80 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 119.008 -0.52 . . . . 25.0 109.668 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.2 143.64 34.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 106.59 -1.634 . . . . 25.0 106.59 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -72.88 137.16 45.48 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.112 -0.635 . . . . 50.0 110.507 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -160.3 147.03 15.79 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.362 -2.088 . . . . 50.0 105.362 171.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.3 m-70 -66.7 142.38 57.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.629 -1.619 . . . . 50.0 106.629 169.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -126.63 105.37 8.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.245 0.545 . . . . 50.0 111.869 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 45.1 m -118.57 148.66 42.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.034 -0.53 . . . . 50.0 110.347 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.06 -136.87 50.5 Favored Glycine 0 C--O 1.227 -0.286 0 C-N-CA 120.619 -0.8 . . . . 25.0 113.402 175.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -26.28 65.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.82 1.044 . . . . 25.0 113.82 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -38.52 84.38 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.664 -0.647 . . . . 50.0 109.622 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.29 -43.67 81.17 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.827 -0.435 . . . . 50.0 109.827 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.59 -44.1 96.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.733 0.302 . . . . 25.0 111.061 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -68.0 -29.73 68.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.942 -0.474 . . . . 50.0 111.548 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.61 70.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.14 -33.95 76.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.368 -0.378 . . . . 50.0 111.816 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.13 -39.46 78.79 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.616 -0.433 . . . . 25.0 110.302 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.82 -46.43 58.14 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.176 0.806 . . . . 50.0 113.176 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.09 -44.65 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.262 0.553 . . . . 50.0 110.877 -173.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.1 m -84.04 -17.81 39.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.364 -0.38 . . . . 50.0 111.192 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.67 -154.97 38.11 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.381 -0.914 . . . . 25.0 112.424 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.89 -6.59 22.57 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.537 1.31 . . . . 50.0 114.537 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -18.77 62.4 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.128 -0.357 . . . . 50.0 110.983 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.78 174.18 49.74 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.982 -0.627 . . . . 50.0 112.048 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -163.51 -179.45 6.48 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.798 -1.186 . . . . 25.0 107.798 -176.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -123.73 157.66 33.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.711 -0.848 . . . . 50.0 108.711 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -146.97 144.97 29.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.679 -1.23 . . . . 25.0 107.679 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.23 106.73 52.61 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -82.12 156.07 17.31 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 121.234 1.289 . . . . 50.0 112.89 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.434 ' HZ2' ' HB3' ' B' ' 29' ' ' LYS . 10.4 mtpm? -89.85 96.26 10.61 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.937 -1.134 . . . . 50.0 107.937 175.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.214 -0.774 0 CA-C-O 125.002 2.334 . . . . 25.0 111.988 178.484 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.026 0 CA-C-O 118.517 -1.157 . . . . 25.0 111.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -62.81 -41.71 93.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 119.227 1.514 . . . . 25.0 113.279 -174.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 p -62.2 -30.21 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.459 0.647 . . . . 50.0 111.567 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.56 -40.52 97.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.82 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -64.87 -39.46 93.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.821 0.304 . . . . 50.0 111.821 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.1 m -78.85 -18.87 53.28 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.543 -0.463 . . . . 50.0 111.596 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -79.03 -42.63 26.06 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.882 -0.414 . . . . 50.0 109.882 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -85.18 -25.11 27.6 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.476 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 47.9 m -138.55 176.91 8.28 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.376 -0.827 . . . . 50.0 112.142 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -82.01 125.06 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 121.74 -0.6 . . . . 50.0 111.177 -170.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -110.91 101.64 10.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.351 -0.981 . . . . 25.0 108.351 171.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -71.19 169.86 14.22 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.65 -32.88 44.29 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 113.084 0.772 . . . . 50.0 113.084 -177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -65.34 -38.94 91.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.542 0.687 . . . . 50.0 111.853 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -70.33 -38.81 74.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.009 -0.738 . . . . 50.0 109.009 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.69 -35.59 81.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.713 -0.676 . . . . 50.0 112.634 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -56.07 -26.43 49.4 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.937 0.717 . . . . 50.0 112.937 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -64.35 -26.67 68.57 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.164 0.802 . . . . 50.0 113.164 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -68.15 -21.25 64.92 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.283 0.563 . . . . 50.0 110.098 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.5 m -106.28 45.35 0.98 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.972 0.891 . . . . 50.0 109.673 -175.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 . . . . . 0 C--O 1.212 -0.887 0 CA-C-O 124.794 2.235 . . . . 50.0 111.858 -179.199 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.868 -0.587 . . . . 25.0 109.735 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 p -132.73 135.23 57.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 107.559 -1.274 . . . . 25.0 107.559 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -79.68 133.41 36.37 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 120.717 0.294 . . . . 50.0 110.505 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.11 154.64 23.9 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 104.841 -2.281 . . . . 50.0 104.841 174.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.476 ' HD1' ' C ' ' A' ' 9' ' ' SER . 68.7 m-70 -68.06 145.14 54.72 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 106.63 -1.619 . . . . 50.0 106.63 169.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 mt -132.79 116.01 16.02 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.64 0.257 . . . . 50.0 110.608 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 m -121.1 151.67 39.58 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.944 -0.391 . . . . 50.0 109.944 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.26 -134.94 41.11 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.076 -0.583 . . . . 25.0 114.099 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -59.43 -28.38 66.9 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 114.038 1.125 . . . . 25.0 114.038 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -62.48 -34.69 77.34 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.825 -0.547 . . . . 50.0 110.661 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.65 -43.44 80.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.698 -0.482 . . . . 50.0 109.698 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.62 -42.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.04 -0.527 . . . . 25.0 110.426 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -62.33 -36.25 81.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.007 0.432 . . . . 50.0 110.588 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.27 73.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.695 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.71 -32.64 74.2 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.054 0.39 . . . . 50.0 112.054 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -60.16 -41.07 92.01 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.916 0.388 . . . . 25.0 110.262 176.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.4 mt -71.7 -45.15 62.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.618 0.599 . . . . 50.0 112.618 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -72.62 -40.24 62.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.955 -0.566 . . . . 50.0 111.65 -172.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.0 m -94.88 -7.52 39.88 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.919 -177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.85 -155.97 51.94 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-O 122.592 1.107 . . . . 25.0 114.862 173.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -66.85 -6.3 15.76 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.905 1.076 . . . . 50.0 113.905 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -66.21 -27.77 68.23 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.781 0.324 . . . . 50.0 111.435 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.36 -179.57 52.59 Favored Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 109.86 -1.296 . . . . 50.0 109.86 -174.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -166.91 179.21 5.38 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 106.456 -1.683 . . . . 25.0 106.456 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.66 163.48 24.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -139.46 143.29 37.49 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.791 -1.189 . . . . 25.0 107.791 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -106.91 98.18 20.44 Favored Pre-proline 0 C--O 1.241 0.651 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.58 173.17 14.91 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 118.406 -0.596 . . . . 50.0 111.191 176.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -117.49 95.5 4.99 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 122.303 1.049 . . . . 50.0 109.363 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.213 -0.824 0 CA-C-O 122.952 1.358 . . . . 25.0 111.319 -178.648 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.596 -0.601 . . . . 25.0 111.596 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.2 tt -62.08 -35.29 67.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -175.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.61 -36.84 77.45 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.445 0 O-C-N 121.797 -0.564 . . . . 50.0 110.394 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -65.76 -41.35 92.21 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.455 -0.778 . . . . 25.0 109.857 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.01 -40.51 85.16 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.141 0.275 . . . . 50.0 110.67 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -73.78 -37.44 64.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.325 0.491 . . . . 50.0 112.325 177.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.5 m -70.65 -48.84 52.88 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.328 0.492 . . . . 50.0 112.328 -177.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -88.08 -23.14 23.8 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -173.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.471 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.8 t -140.33 -170.04 2.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.907 -0.496 . . . . 50.0 109.899 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.4 mm -97.53 108.58 21.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.693 -0.854 . . . . 50.0 108.693 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.3 p -91.86 142.87 27.09 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 173.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.8 p -84.92 169.08 14.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.703 0.287 . . . . 50.0 110.719 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -61.62 -28.03 69.07 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 120.881 0.372 . . . . 50.0 111.297 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -67.88 -38.55 83.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.264 0.554 . . . . 50.0 109.81 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.31 -36.72 77.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.104 -0.498 . . . . 50.0 110.123 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.13 -33.87 75.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.391 -0.368 . . . . 50.0 111.291 178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -61.12 -22.25 64.48 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 113.209 0.818 . . . . 50.0 113.209 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -65.18 -27.03 68.41 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.855 -0.528 . . . . 50.0 111.414 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -68.27 -17.5 64.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.035 0.445 . . . . 50.0 110.03 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.2 p -131.44 49.64 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.469 -0.937 . . . . 50.0 108.469 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 t30 . . . . . 0 C--O 1.209 -1.052 0 C-N-CA 126.702 2.001 . . . . 50.0 113.437 -179.38 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.6 t80 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.899 -0.572 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.32 129.22 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -71.79 130.31 40.77 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.685 0.755 . . . . 50.0 111.54 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -160.11 155.11 24.63 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 104.09 -2.559 . . . . 50.0 104.09 171.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.1 m-70 -66.41 141.57 57.89 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 106.431 -1.692 . . . . 50.0 106.431 170.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -129.31 111.93 13.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.987 0.422 . . . . 50.0 110.906 -174.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.39 157.61 44.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.42 -0.956 . . . . 50.0 108.42 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.38 -137.78 49.72 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.604 -0.808 . . . . 25.0 112.313 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.8 p -60.73 -29.32 69.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.92 -39.21 93.88 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.495 -0.753 . . . . 50.0 110.157 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.4 tp -66.92 -42.46 85.33 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 110.02 -0.363 . . . . 50.0 110.02 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.85 -45.53 98.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.509 -0.314 . . . . 25.0 110.946 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -68.59 -30.19 68.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.744 -0.597 . . . . 50.0 111.68 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.2 78.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.18 -33.71 76.66 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.123 0.416 . . . . 50.0 112.123 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -57.0 -42.48 80.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.713 -0.395 . . . . 25.0 109.94 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.87 -44.26 64.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.645 0.98 . . . . 50.0 113.645 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -75.2 -41.7 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 121.262 0.553 . . . . 50.0 111.407 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 83.6 m -78.72 -24.18 45.07 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.14 -141.7 47.47 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.708 -0.758 . . . . 25.0 112.485 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.1 -9.68 42.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.929 1.085 . . . . 50.0 113.929 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -69.98 -26.05 63.91 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 122.108 -0.37 . . . . 50.0 111.046 178.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.78 179.31 49.7 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 109.471 -1.452 . . . . 50.0 109.471 -174.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -162.81 177.27 9.44 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -131.64 165.34 23.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.664 -1.236 . . . . 50.0 107.664 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -137.02 145.06 43.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 105.573 -2.01 . . . . 25.0 105.573 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.86 95.14 43.31 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 121.857 0.837 . . . . 25.0 110.16 -177.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.65 169.48 16.76 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 121.283 1.322 . . . . 50.0 110.574 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -145.47 164.28 32.05 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 107.085 -1.45 . . . . 50.0 107.085 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 45.6 p . . . . . 0 C--O 1.215 -0.734 0 CA-C-O 121.983 0.896 . . . . 25.0 109.503 170.615 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.875 0 CA-C-O 119.145 -0.809 . . . . 25.0 111.149 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -57.13 -37.04 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 118.384 1.092 . . . . 25.0 113.782 -171.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.98 -38.42 75.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 O-C-N 121.657 -0.652 . . . . 50.0 110.793 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -65.56 -45.02 84.95 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.441 -0.787 . . . . 25.0 108.946 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -58.93 -40.15 83.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.123 0.264 . . . . 50.0 110.663 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 m -73.2 -33.65 65.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.81 1.041 . . . . 50.0 113.81 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.0 m -75.3 -48.58 22.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.767 0.284 . . . . 50.0 111.767 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -88.17 -16.68 32.71 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.558 0.947 . . . . 25.0 113.558 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.602 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 8.3 t -139.15 -178.41 5.34 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.0 -0.741 . . . . 50.0 109.0 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.9 mm -74.11 119.25 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 121.477 -0.764 . . . . 50.0 110.571 -167.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 t -90.12 74.78 7.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -63.61 164.83 8.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.523 -0.762 . . . . 50.0 109.581 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -52.99 -30.72 36.78 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 112.869 0.692 . . . . 50.0 112.869 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -64.88 -39.61 93.82 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.017 0.437 . . . . 50.0 111.657 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -69.36 -41.43 76.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.577 -0.897 . . . . 50.0 108.577 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.56 -36.9 84.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.854 -0.612 . . . . 50.0 112.046 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.5 -29.84 66.57 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.219 0.822 . . . . 50.0 113.219 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -67.08 -26.65 66.82 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.446 0.535 . . . . 50.0 112.446 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -73.74 -21.17 60.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.72 0.295 . . . . 50.0 110.296 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.4 m -75.83 102.77 5.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.701 0.763 . . . . 50.0 110.432 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.207 -1.164 0 CA-C-O 124.04 1.876 . . . . 50.0 112.405 178.707 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 119.105 -0.474 . . . . 25.0 109.813 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 66.5 t -113.82 123.51 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.18 130.03 41.84 Favored 'General case' 0 CA--C 1.503 -0.832 0 C-N-CA 120.764 -0.374 . . . . 50.0 110.741 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -160.37 156.23 25.86 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 105.109 -2.182 . . . . 50.0 105.109 174.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.602 ' HD1' ' C ' ' A' ' 9' ' ' SER . 60.4 m-70 -75.57 140.76 42.88 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 106.942 -1.503 . . . . 50.0 106.942 170.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -126.79 124.38 39.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.479 0.581 . . . . 50.0 110.32 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 t -144.86 159.64 42.57 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.435 -0.58 . . . . 50.0 109.435 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.62 -142.77 48.14 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 121.029 -0.605 . . . . 25.0 112.315 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -27.48 67.28 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.587 0.588 . . . . 25.0 112.587 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -66.32 -29.11 69.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.842 -0.536 . . . . 50.0 111.478 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 tp -67.82 -41.79 82.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.059 -0.719 . . . . 50.0 109.059 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.23 -40.07 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.346 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.67 -34.61 77.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.861 0.362 . . . . 50.0 111.038 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.05 -34.68 64.14 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.075 -0.342 . . . . 25.0 110.075 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.1 mt -65.61 -30.65 71.4 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.998 0.37 . . . . 50.0 111.998 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -60.36 -36.7 78.64 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.554 175.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.95 -43.45 65.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.666 0.617 . . . . 50.0 112.666 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.55 -39.18 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.009 0.433 . . . . 50.0 111.829 -172.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -21.32 40.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.288 -0.634 . . . . 50.0 109.288 176.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.65 -159.49 50.56 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.53 -0.843 . . . . 25.0 111.535 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.16 -6.19 12.61 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 114.035 1.124 . . . . 50.0 114.035 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.09 -25.1 66.86 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.824 0.345 . . . . 50.0 110.458 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.39 171.93 48.15 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 111.722 -0.551 . . . . 50.0 111.722 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -164.16 176.67 9.02 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -136.18 163.36 30.55 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.736 -1.579 . . . . 50.0 106.736 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -140.42 141.11 35.55 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.739 -1.578 . . . . 25.0 106.739 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.5 p -121.42 94.13 48.66 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -70.32 154.69 65.3 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 117.873 -0.951 . . . . 50.0 109.783 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -135.41 110.81 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.654 -0.499 . . . . 50.0 109.654 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.21 -1.014 0 CA-C-O 124.489 2.09 . . . . 25.0 111.519 -178.216 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 111.533 -0.627 . . . . 25.0 111.533 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -61.93 -33.65 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 113.401 0.889 . . . . 25.0 113.401 -174.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.88 -42.53 82.56 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 O-C-N 121.841 -0.537 . . . . 50.0 109.591 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -65.23 -38.46 90.46 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.954 -0.298 . . . . 25.0 110.478 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -59.44 -36.18 75.43 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.376 0.139 . . . . 50.0 111.376 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.1 m -81.61 -35.15 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.245 0.461 . . . . 50.0 112.245 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.67 -52.17 11.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.567 0.951 . . . . 50.0 113.567 -174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -87.83 -21.07 25.26 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.469 0.652 . . . . 25.0 111.757 -173.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.469 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 29.2 p -140.04 -170.68 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.867 -0.79 . . . . 50.0 108.867 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mm -96.48 134.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 106.908 -1.516 . . . . 50.0 106.908 -175.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -118.79 145.38 45.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.976 -1.49 . . . . 25.0 106.976 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.8 t -85.35 166.05 16.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.302 -0.408 . . . . 50.0 110.613 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.03 -27.87 63.95 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 112.31 0.485 . . . . 50.0 112.31 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -65.34 -36.14 83.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.558 0.694 . . . . 50.0 110.682 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -72.36 -36.57 68.81 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.99 -0.745 . . . . 50.0 108.99 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.58 -36.86 84.05 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.207 -0.308 . . . . 50.0 110.563 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.76 -20.32 63.43 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.5 0.926 . . . . 50.0 113.5 175.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -27.09 65.53 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.596 -0.69 . . . . 50.0 110.728 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -74.21 -8.69 57.09 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.015 0.436 . . . . 50.0 111.213 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -77.1 155.96 32.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.519 0.675 . . . . 50.0 109.274 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 C--O 1.213 -0.83 0 CA-C-O 123.513 1.625 . . . . 50.0 111.33 176.626 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.8 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.993 -0.527 . . . . 25.0 109.701 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.48 116.25 43.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.03 127.43 32.54 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 120.41 -0.516 . . . . 50.0 110.472 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -159.0 151.52 21.62 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 104.222 -2.51 . . . . 50.0 104.222 173.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 66.7 m-70 -68.11 140.23 56.2 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 106.638 -1.615 . . . . 50.0 106.638 170.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.5 mt -126.95 106.6 9.41 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.009 0.523 . . . . 50.0 109.958 -174.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.27 160.28 40.32 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.237 -1.023 . . . . 50.0 108.237 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.56 -138.18 48.48 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.591 -0.814 . . . . 25.0 111.657 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 33.0 p -61.38 -30.32 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.04 -38.16 87.66 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.69 -0.631 . . . . 50.0 110.051 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.17 -45.98 75.34 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.17 -0.308 . . . . 50.0 110.17 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.07 -42.22 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.846 0.355 . . . . 25.0 111.088 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -67.74 -29.35 68.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.661 -0.649 . . . . 50.0 111.342 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.91 76.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.16 -34.22 77.86 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.635 0.235 . . . . 50.0 111.635 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.2 -39.36 86.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 120.964 -0.295 . . . . 25.0 110.208 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.1 mt -71.93 -45.75 60.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.656 0.613 . . . . 50.0 112.656 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.28 -41.1 57.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.221 0.534 . . . . 50.0 111.319 -173.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -22.76 33.42 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.623 -0.831 . . . . 50.0 110.677 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.17 -148.53 50.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.194 -1.003 . . . . 25.0 111.089 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.63 -6.58 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.199 1.185 . . . . 50.0 114.199 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.68 -26.39 67.01 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.003 0.371 . . . . 50.0 112.003 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.24 157.94 24.88 Favored Glycine 0 C--O 1.225 -0.421 0 C-N-CA 121.117 -0.564 . . . . 50.0 111.972 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -151.35 176.83 10.87 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 -176.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -131.87 159.83 37.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.146 -1.057 . . . . 50.0 108.146 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -146.39 139.53 25.68 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.872 -1.529 . . . . 25.0 106.872 177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.73 85.38 53.44 Favored Pre-proline 0 C--O 1.245 0.83 0 CA-C-O 121.758 0.789 . . . . 25.0 108.934 -175.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.79 155.17 63.03 Favored 'Trans proline' 0 CA--C 1.518 -0.316 0 C-N-CA 121.033 1.155 . . . . 50.0 111.038 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -137.22 132.4 33.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.217 -1.031 . . . . 50.0 108.217 -175.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.205 -1.258 0 CA-C-O 123.787 1.756 . . . . 25.0 113.392 -177.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.269 0 CA-C-O 118.597 -1.113 . . . . 25.0 111.426 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -59.66 -42.53 88.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 119.728 1.764 . . . . 25.0 114.567 -171.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.12 -30.31 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.151 -0.968 . . . . 50.0 110.551 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.05 -33.45 76.06 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.804 -0.635 . . . . 25.0 109.99 -176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -59.8 -40.85 89.76 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 120.631 -0.427 . . . . 50.0 110.707 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.3 m -77.78 -22.14 50.63 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.368 0.507 . . . . 50.0 112.368 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.4 m -86.83 -32.81 20.09 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.747 -0.381 . . . . 50.0 111.925 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -88.16 -35.83 17.18 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.521 0.563 . . . . 25.0 112.521 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -135.71 166.86 22.29 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 107.224 -1.398 . . . . 50.0 107.224 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 mm -81.48 118.12 28.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 119.772 -0.771 . . . . 50.0 109.549 -176.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -87.33 132.12 34.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p -81.34 171.1 15.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.391 -0.596 . . . . 50.0 109.391 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.87 -30.0 67.4 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.044 0.387 . . . . 50.0 112.044 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -69.52 -37.2 77.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.207 0.527 . . . . 50.0 110.192 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -70.92 -39.73 72.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.512 -0.922 . . . . 50.0 108.512 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 mt -62.77 -31.98 73.05 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 113.182 0.808 . . . . 50.0 113.182 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.77 -30.92 64.1 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.671 0.669 . . . . 50.0 111.231 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -68.31 -27.96 66.74 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.097 0.406 . . . . 50.0 112.097 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -70.75 -21.65 62.5 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 110.132 -0.321 . . . . 50.0 110.132 -177.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.6 p -121.97 25.39 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.771 0.796 . . . . 50.0 110.943 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 C--O 1.209 -1.079 0 CA-C-O 124.024 1.868 . . . . 50.0 113.084 -178.386 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 119.052 -0.499 . . . . 25.0 109.692 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -138.38 143.51 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 106.19 -1.782 . . . . 25.0 106.19 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -81.28 127.29 32.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.422 0.63 . . . . 50.0 110.77 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -160.06 140.8 12.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 104.845 -2.28 . . . . 50.0 104.845 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -70.39 132.76 46.12 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.692 -0.403 . . . . 50.0 110.84 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 mt -135.08 129.54 34.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.55 -1.278 . . . . 50.0 107.55 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -138.15 162.22 34.79 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.895 -1.15 . . . . 50.0 107.895 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.16 -138.06 45.72 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.462 -0.875 . . . . 25.0 111.743 178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.4 p -60.41 -28.45 68.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -68.94 -30.69 69.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.514 -0.741 . . . . 50.0 110.793 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.52 -34.51 65.27 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.696 -0.483 . . . . 50.0 109.696 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.28 -40.38 87.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.907 -0.775 . . . . 25.0 108.907 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -68.13 -25.89 65.51 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.912 -0.493 . . . . 50.0 111.917 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -43.68 79.55 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.55 -31.44 72.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.082 -0.508 . . . . 50.0 112.151 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -55.68 -44.53 77.4 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 174.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.86 -43.14 65.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.127 0.788 . . . . 50.0 113.127 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.25 -43.92 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.288 0.477 . . . . 50.0 112.288 -172.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -18.42 32.26 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.077 -0.649 . . . . 50.0 109.758 177.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.96 -157.56 53.38 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.436 -0.887 . . . . 25.0 113.473 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -65.04 -6.58 9.09 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 116.215 1.932 . . . . 50.0 116.215 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -71.84 -13.29 61.64 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.112 0.869 . . . . 50.0 111.444 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.28 171.34 44.17 Favored Glycine 0 C--O 1.228 -0.276 0 N-CA-C 109.105 -1.598 . . . . 50.0 109.105 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -164.37 174.34 11.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -130.38 164.98 23.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.04 -1.467 . . . . 50.0 107.04 176.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -147.06 149.8 33.79 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.7 p -108.78 92.69 10.86 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-O 121.16 0.505 . . . . 25.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -77.92 174.82 11.98 Favored 'Trans proline' 0 C--N 1.348 0.538 0 CA-C-O 121.211 0.421 . . . . 50.0 112.863 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -148.98 156.39 42.2 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 104.194 -2.521 . . . . 50.0 104.194 174.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.315 -0.935 0 CA-C-O 123.778 1.751 . . . . 25.0 111.727 178.917 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.089 0 CA-C-O 119.198 -0.779 . . . . 25.0 111.519 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt -60.02 -29.16 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -28.84 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 113.066 0.765 . . . . 50.0 113.066 178.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -63.77 -32.51 74.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.882 -0.512 . . . . 25.0 111.627 -175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -57.95 -39.99 79.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.804 0.335 . . . . 50.0 110.581 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.7 m -90.43 -21.18 22.04 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.369 -0.533 . . . . 50.0 111.821 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -71.25 -44.51 65.14 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.9 -0.407 . . . . 50.0 109.9 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -88.09 -19.09 27.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.16 1.171 . . . . 25.0 114.16 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.54 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 6.1 t -142.75 -178.67 5.91 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.724 -0.61 . . . . 50.0 112.332 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -84.99 127.9 39.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.211 -0.663 . . . . 50.0 109.211 -172.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.0 m -112.05 105.46 13.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.221 0.534 . . . . 25.0 110.124 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -67.05 165.75 15.13 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.093 -1.447 . . . . 50.0 107.093 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -54.24 -31.69 54.04 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.16 0.8 . . . . 50.0 113.16 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -66.06 -38.54 88.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.44 0.638 . . . . 50.0 111.636 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -70.11 -37.35 75.33 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.785 -0.82 . . . . 50.0 108.785 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.44 -32.22 73.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.364 -0.835 . . . . 50.0 111.979 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -59.24 -18.97 41.78 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.376 0.88 . . . . 50.0 113.376 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -66.92 -28.21 68.11 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.784 -0.572 . . . . 50.0 111.616 175.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -88.18 -1.58 58.1 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.275 0.63 . . . . 50.0 110.384 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -86.46 152.46 22.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.621 0.971 . . . . 50.0 113.621 -169.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 t30 . . . . . 0 C--O 1.217 -0.611 0 CA-C-O 124.077 1.894 . . . . 50.0 111.039 173.609 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.883 -0.58 . . . . 25.0 109.594 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 83.5 t -124.18 129.03 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -76.18 126.39 30.9 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 120.225 -0.59 . . . . 50.0 110.777 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -160.19 152.67 20.91 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 104.355 -2.461 . . . . 50.0 104.355 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.54 ' HD1' ' C ' ' A' ' 9' ' ' SER . 62.0 m-70 -67.27 140.96 57.37 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.011 -1.478 . . . . 50.0 107.011 170.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.92 105.83 12.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.214 0.53 . . . . 50.0 110.041 -176.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.52 152.08 46.65 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.007 -0.738 . . . . 50.0 109.007 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.39 -135.23 47.91 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.413 -0.899 . . . . 25.0 111.837 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.4 p -60.53 -29.99 69.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -63.2 -35.61 80.88 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.74 -0.6 . . . . 50.0 110.983 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.8 tp -68.0 -47.77 67.59 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.778 -0.369 . . . . 50.0 111.384 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m -69.37 -34.01 60.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 120.075 -0.65 . . . . 25.0 111.008 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -64.71 -41.29 96.11 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.963 -0.461 . . . . 50.0 110.674 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.87 91.19 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 mt -66.12 -32.3 73.67 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.487 0.921 . . . . 50.0 113.487 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -59.92 -37.43 79.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.78 -44.41 64.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.675 0.62 . . . . 50.0 112.675 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -68.42 -40.24 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.415 0.626 . . . . 50.0 110.635 -174.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.4 m -89.09 -23.85 22.41 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.388 0.884 . . . . 50.0 113.388 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.67 -142.18 48.08 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.583 -1.407 . . . . 25.0 109.583 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -70.18 -6.33 33.63 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.576 1.324 . . . . 50.0 114.576 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.03 -25.12 64.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.69 -0.631 . . . . 50.0 111.92 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.94 177.38 50.58 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.186 -0.766 . . . . 50.0 111.186 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -156.92 -179.64 8.4 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.509 -1.663 . . . . 25.0 106.509 -176.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -130.13 168.23 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.587 0.708 . . . . 50.0 110.224 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -143.18 158.69 43.4 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.655 -1.98 . . . . 25.0 105.655 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.1 p -113.14 85.0 7.71 Favored Pre-proline 0 CA--C 1.544 0.736 0 CA-C-O 120.7 0.286 . . . . 25.0 111.165 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -81.08 -175.76 2.81 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 120.854 1.036 . . . . 50.0 111.717 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -118.83 97.34 5.66 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.134 -1.062 . . . . 50.0 108.134 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.212 -0.901 0 CA-C-O 124.827 2.251 . . . . 25.0 111.077 -179.556 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.52 -0.632 . . . . 25.0 111.52 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.2 tt -58.27 -33.47 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -175.029 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.69 -38.62 82.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 O-C-N 121.664 -0.647 . . . . 50.0 110.845 177.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -65.87 -44.81 84.28 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.447 -0.783 . . . . 25.0 109.766 177.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -59.67 -40.21 87.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.815 0.34 . . . . 50.0 110.563 -177.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.6 m -77.73 -20.71 53.04 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.653 0.982 . . . . 50.0 113.653 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.6 t -87.17 -44.38 11.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.799 0.333 . . . . 50.0 111.115 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -84.86 -14.94 46.38 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -176.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.565 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 8.1 t -142.56 -178.21 5.66 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 122.03 -0.418 . . . . 50.0 109.948 177.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -74.29 120.91 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.561 0.696 . . . . 50.0 110.716 -169.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -94.45 102.39 14.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 178.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.6 p -78.93 166.29 22.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.513 -0.921 . . . . 50.0 108.513 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.92 -28.96 68.04 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.832 0.348 . . . . 50.0 111.451 179.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -67.38 -37.76 83.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.432 0.634 . . . . 50.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.17 -37.76 78.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.433 -0.581 . . . . 50.0 109.433 177.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.09 -37.02 83.45 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.65 -0.705 . . . . 50.0 112.38 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.91 -29.74 63.31 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.543 0.571 . . . . 50.0 112.543 178.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.13 -26.84 68.36 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.421 0.897 . . . . 50.0 113.421 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -74.2 -7.12 51.57 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.116 0.484 . . . . 50.0 111.411 -178.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.9 m -106.88 135.41 48.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.729 0.776 . . . . 50.0 110.081 -173.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 t30 . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 124.566 2.127 . . . . 50.0 112.005 -178.378 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.63 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.49 130.24 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -67.95 129.41 39.82 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.138 0.494 . . . . 50.0 111.318 178.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -159.72 155.53 26.14 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 104.86 -2.274 . . . . 50.0 104.86 171.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.565 ' HD1' ' C ' ' A' ' 9' ' ' SER . 63.7 m-70 -69.07 143.22 54.3 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.528 -1.656 . . . . 50.0 106.528 168.385 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.09 108.22 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.98 0.419 . . . . 50.0 111.272 -177.116 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.3 m -122.23 150.76 41.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.708 -0.479 . . . . 50.0 109.708 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.74 -134.39 51.75 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 120.921 -0.657 . . . . 25.0 112.802 176.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -58.35 -31.03 67.22 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -59.86 -36.07 76.11 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.751 0.705 . . . . 50.0 110.636 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.4 tp -68.0 -45.21 74.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.987 0.423 . . . . 50.0 110.112 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -64.82 -43.14 96.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.187 -178.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.34 -34.29 77.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.892 0.377 . . . . 50.0 110.675 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.9 -34.18 66.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.779 0.323 . . . . 25.0 110.323 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.26 -34.16 77.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.825 0.306 . . . . 50.0 111.825 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -61.46 -35.81 78.67 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.946 -0.302 . . . . 25.0 110.365 176.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.88 -48.03 48.64 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.038 0.755 . . . . 50.0 113.038 178.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.42 -42.12 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.132 -0.485 . . . . 50.0 111.51 -171.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -97.44 -8.19 29.94 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.624 -0.43 . . . . 50.0 112.078 -178.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.1 -154.56 51.37 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.212 -0.994 . . . . 25.0 113.213 175.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -68.27 -6.51 24.3 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.552 0.945 . . . . 50.0 113.552 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -67.48 -21.94 65.5 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 122.232 -0.293 . . . . 50.0 111.27 179.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.63 179.33 50.34 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.932 -0.652 . . . . 50.0 112.51 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -165.83 -177.7 4.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 -175.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -132.3 161.31 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.598 -1.26 . . . . 50.0 107.598 174.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -142.41 139.44 31.65 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 -178.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.5 p -111.93 95.46 29.19 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.208 -0.451 . . . . 25.0 111.002 -178.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -71.84 159.48 50.44 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 118.053 -0.831 . . . . 50.0 111.709 178.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 84.93 7.42 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 122.363 1.077 . . . . 50.0 109.428 178.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.21 -0.994 0 CA-C-O 124.441 2.067 . . . . 25.0 112.005 -178.432 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.797 0 N-CA-C 111.614 -0.594 . . . . 25.0 111.614 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 tt -63.43 -36.86 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 113.261 0.837 . . . . 25.0 113.261 -175.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p -67.33 -32.5 57.67 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.557 0 O-C-N 121.542 -0.724 . . . . 50.0 110.765 -179.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -68.73 -44.83 72.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.118 -0.697 . . . . 25.0 109.118 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.14 -39.44 82.39 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 123.062 0.226 . . . . 50.0 111.369 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.5 m -75.98 -36.74 59.12 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.165 0.802 . . . . 50.0 113.165 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.2 m -75.39 -51.14 13.81 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.807 0.669 . . . . 50.0 112.807 -177.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -87.95 -19.82 26.75 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.399 0.889 . . . . 25.0 113.399 -174.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.582 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 2.6 p -136.61 -175.29 3.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.847 -0.797 . . . . 50.0 108.847 -176.61 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -71.32 120.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 121.393 -0.817 . . . . 50.0 111.981 -166.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 t -94.34 90.52 6.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.911 -1.04 . . . . 25.0 108.21 178.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.8 p -77.54 165.95 23.68 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.227 -0.657 . . . . 50.0 109.227 -179.151 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.07 -28.98 66.98 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 111.906 0.336 . . . . 50.0 111.906 179.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.79 -37.82 82.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.335 0.588 . . . . 50.0 110.927 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.37 -40.44 81.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.642 -0.873 . . . . 50.0 108.642 177.255 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.2 -36.94 83.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.951 -0.568 . . . . 50.0 112.226 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.39 -30.98 67.23 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.838 0.681 . . . . 50.0 112.838 178.302 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.85 -26.82 66.23 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.08 0.77 . . . . 50.0 113.08 -177.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -72.27 -6.79 45.55 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.085 0.469 . . . . 50.0 110.903 179.504 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.7 m -110.47 40.16 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.01 0.909 . . . . 50.0 110.378 -175.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 C--O 1.213 -0.845 0 CA-C-O 123.428 1.585 . . . . 50.0 111.204 -179.484 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.059 -0.349 . . . . 25.0 110.059 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.6 t -95.82 112.42 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -64.7 134.75 54.87 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 109.806 -0.442 . . . . 50.0 109.806 178.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -159.91 159.71 32.69 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 105.326 -2.101 . . . . 50.0 105.326 175.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.582 ' HD1' ' C ' ' A' ' 9' ' ' SER . 44.4 m-70 -68.24 137.64 54.92 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 106.067 -1.827 . . . . 50.0 106.067 170.182 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.3 mt -135.66 121.86 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.922 0.392 . . . . 50.0 111.08 -175.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -144.58 164.24 31.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.764 -0.828 . . . . 50.0 108.764 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.04 -143.88 48.62 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.821 -0.704 . . . . 25.0 112.311 178.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -27.72 68.72 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -63.47 -36.04 82.44 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 122.089 -0.382 . . . . 50.0 110.449 178.133 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.8 tp -67.15 -43.08 83.22 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 109.622 -0.51 . . . . 50.0 109.622 178.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.89 -42.63 96.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.919 -179.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -63.77 -34.66 78.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.03 0.443 . . . . 50.0 110.935 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.68 -36.37 73.28 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.789 -0.364 . . . . 25.0 110.474 179.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.98 -35.93 82.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.564 -0.289 . . . . 50.0 111.674 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -59.03 -38.36 79.12 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 110.139 -0.319 . . . . 25.0 110.139 176.576 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.8 mt -71.77 -48.43 46.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.791 1.034 . . . . 50.0 113.791 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.64 -40.8 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.231 0.538 . . . . 50.0 110.936 -171.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -99.93 -10.89 21.16 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.824 0.676 . . . . 50.0 112.824 -175.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.25 -140.95 38.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.04 -1.076 . . . . 25.0 113.748 176.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -7.27 36.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 116.595 2.072 . . . . 50.0 116.595 -176.455 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -75.21 -15.21 60.56 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 119.02 0.827 . . . . 50.0 111.576 -177.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.24 176.97 51.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.192 -0.528 . . . . 50.0 112.459 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -167.57 179.25 4.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.06 -2.2 . . . . 25.0 105.06 -177.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -128.76 162.42 27.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.453 0.644 . . . . 50.0 110.202 174.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -141.37 159.66 41.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 105.51 -2.033 . . . . 25.0 105.51 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.1 p -105.86 93.21 7.21 Favored Pre-proline 0 C--O 1.247 0.96 0 CA-C-O 120.903 0.382 . . . . 25.0 111.464 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.54 168.18 25.42 Favored 'Trans proline' 0 C--N 1.35 0.62 0 N-CA-C 110.594 -0.579 . . . . 50.0 110.594 177.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -106.08 98.87 8.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.999 -1.482 . . . . 50.0 106.999 -176.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.212 -0.874 0 CA-C-O 124.456 2.074 . . . . 25.0 111.134 -175.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 111.657 -0.577 . . . . 25.0 111.657 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.1 tt -64.07 -36.99 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 -175.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.84 -31.76 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 121.874 -0.516 . . . . 50.0 110.738 -179.257 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -65.62 -42.57 91.4 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 121.797 -0.564 . . . . 25.0 109.706 177.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -57.76 -45.1 86.37 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 110.19 -0.3 . . . . 50.0 110.19 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 m -75.14 -28.18 60.07 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.61 -0.436 . . . . 50.0 111.945 -176.663 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -73.87 -53.35 10.39 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.031 -0.268 . . . . 50.0 111.65 178.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -88.1 -16.58 33.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -172.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.487 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.7 t -141.95 -168.31 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.507 -1.294 . . . . 50.0 107.507 178.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.39 116.22 50.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 O-C-N 121.73 -0.606 . . . . 50.0 109.579 -176.033 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.9 m -75.75 130.98 39.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 173.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.7 p -74.09 166.6 23.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.864 -1.532 . . . . 50.0 106.864 174.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.81 -31.83 68.81 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 120.849 -0.341 . . . . 50.0 111.284 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -65.16 -38.46 90.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.428 0.632 . . . . 50.0 111.5 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -69.49 -39.48 77.62 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.034 -0.728 . . . . 50.0 109.034 177.6 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.38 -35.47 80.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.327 0.491 . . . . 50.0 112.327 179.222 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -55.22 -30.23 59.59 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.286 0.476 . . . . 50.0 112.286 177.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -62.66 -26.87 68.86 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.605 0.965 . . . . 50.0 113.605 -179.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -62.85 -22.66 66.84 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 122.26 -0.275 . . . . 50.0 110.787 178.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.6 p -130.93 44.74 2.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.073 0.94 . . . . 50.0 109.402 175.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 C--O 1.21 -0.975 0 CA-C-O 124.051 1.882 . . . . 50.0 112.26 -179.078 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.76 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.99 123.64 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.26 126.84 31.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 120.266 -0.574 . . . . 50.0 110.344 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -160.18 149.78 17.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 105.516 -2.031 . . . . 50.0 105.516 174.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.4 m-70 -72.67 141.56 48.26 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.473 -0.936 . . . . 50.0 108.473 173.461 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.3 mt -130.27 105.35 7.85 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.629 0.371 . . . . 50.0 110.702 -172.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 t -133.33 -17.46 2.33 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.01 1.485 . . . . 50.0 115.01 -177.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.76 -137.3 6.36 Favored Glycine 0 C--O 1.229 -0.192 0 N-CA-C 110.092 -1.203 . . . . 25.0 110.092 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.2 p -55.95 -26.9 50.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.986 0.422 . . . . 25.0 111.719 176.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -55.61 -36.25 66.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.028 0.751 . . . . 50.0 113.028 177.074 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.4 tp -67.98 -40.13 83.19 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.593 -0.521 . . . . 50.0 109.593 -177.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.1 t -67.25 -42.97 88.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.229 0.538 . . . . 25.0 110.106 177.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.73 -34.86 78.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.456 . . . . 50.0 110.674 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.93 74.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.502 -0.317 . . . . 25.0 110.315 179.558 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -65.2 -29.69 70.53 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.86 0.689 . . . . 50.0 112.86 -178.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -58.5 -42.41 87.59 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.068 0.461 . . . . 25.0 110.175 174.649 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.4 mt -71.99 -44.07 64.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.063 0.458 . . . . 50.0 112.161 -178.083 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -75.4 -41.46 42.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.917 -0.583 . . . . 50.0 111.82 -172.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -16.45 47.11 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.439 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.82 -158.59 53.72 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-O 121.939 0.744 . . . . 25.0 113.249 177.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.99 -6.41 16.75 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.849 1.055 . . . . 50.0 113.849 -178.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -65.66 -24.71 67.09 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.708 0.289 . . . . 50.0 111.516 178.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.38 174.52 50.39 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 108.725 -1.75 . . . . 50.0 108.725 -174.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -163.05 177.26 9.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 -176.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -131.14 160.65 34.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.952 -1.499 . . . . 50.0 106.952 173.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -150.12 140.97 22.79 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 178.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.9 p -95.04 105.64 20.56 Favored Pre-proline 0 C--O 1.242 0.69 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.485 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -73.8 153.0 47.93 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 115.917 -2.255 . . . . 50.0 112.367 -179.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -85.52 94.97 9.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.274 -1.38 . . . . 50.0 107.274 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.207 -1.146 0 CA-C-O 123.169 1.462 . . . . 25.0 112.137 -177.411 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.785 0 CA-C-O 118.136 -1.369 . . . . 25.0 111.267 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -56.2 -38.19 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 119.256 1.528 . . . . 25.0 113.834 -170.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.37 -42.4 96.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.602 0 N-CA-C 110.101 -0.333 . . . . 50.0 110.101 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -65.23 -40.5 94.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.364 -0.21 . . . . 25.0 111.102 179.383 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -60.9 -43.67 98.19 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 120.483 -0.487 . . . . 50.0 110.012 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 m -73.23 -29.88 63.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.352 0.501 . . . . 50.0 112.352 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.2 t -70.11 -51.13 34.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.835 0.35 . . . . 50.0 110.589 -178.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 t -87.97 -22.69 24.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 -174.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.57 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 7.7 t -137.62 -176.99 4.6 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.512 -0.742 . . . . 50.0 110.858 -178.437 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -70.55 122.05 21.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 122.073 0.939 . . . . 50.0 112.103 -166.03 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -94.91 86.17 4.59 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 177.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.8 p -73.99 171.58 13.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.676 -0.693 . . . . 50.0 109.215 -179.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.45 -27.84 66.44 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 122.315 -0.241 . . . . 50.0 111.245 178.057 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -71.28 -38.31 71.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.091 0.472 . . . . 50.0 110.46 179.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -67.0 -39.83 87.21 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.438 -0.949 . . . . 50.0 108.438 177.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.64 -36.99 85.3 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.783 -0.644 . . . . 50.0 111.897 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.15 -31.43 68.96 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.095 -0.378 . . . . 50.0 111.906 177.12 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -66.02 -26.83 67.71 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.578 0.584 . . . . 50.0 112.578 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.1 -26.35 63.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.897 0.379 . . . . 50.0 110.21 177.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -73.64 135.7 43.81 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.956 -0.757 . . . . 50.0 108.956 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--O 1.207 -1.143 0 CA-C-O 123.914 1.816 . . . . 50.0 112.501 -179.925 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 119.001 -0.524 . . . . 25.0 109.774 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -132.67 143.55 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 106.703 -1.591 . . . . 25.0 106.703 -178.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -64.36 137.73 58.05 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 120.507 -0.477 . . . . 50.0 110.278 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -160.05 140.0 11.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.43 -0.805 . . . . 50.0 109.802 176.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.57 ' HD1' ' C ' ' A' ' 9' ' ' SER . 78.7 m-70 -74.29 141.09 45.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.272 -1.751 . . . . 50.0 106.272 166.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -138.44 119.37 14.31 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 117.986 0.357 . . . . 50.0 110.105 -177.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -131.49 -57.05 1.01 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.829 1.048 . . . . 50.0 113.829 -176.359 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.74 -143.35 4.78 Favored Glycine 0 C--O 1.224 -0.512 0 C-N-CA 121.336 -0.459 . . . . 25.0 112.234 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -26.26 8.03 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.314 1.227 . . . . 25.0 114.314 179.322 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -56.46 -36.38 68.99 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.27 0.47 . . . . 50.0 112.27 175.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.57 -42.18 82.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.182 0.515 . . . . 50.0 110.186 -178.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.95 -42.62 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.369 179.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.45 -32.69 74.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.02 0.438 . . . . 50.0 111.321 -179.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.57 -34.52 65.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.876 0.369 . . . . 25.0 110.25 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.49 -30.7 71.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.161 0.43 . . . . 50.0 112.161 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -59.24 -39.82 84.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.948 0.404 . . . . 25.0 110.15 175.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.0 mt -71.9 -44.62 63.42 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.738 0.644 . . . . 50.0 112.738 -178.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.05 -39.92 21.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.894 0.378 . . . . 50.0 111.364 -172.444 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -22.64 47.63 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.81 -0.756 . . . . 50.0 109.447 177.44 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.72 -148.43 50.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.345 -0.931 . . . . 25.0 111.83 179.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.28 -6.44 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.258 1.207 . . . . 50.0 114.258 -178.595 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -66.34 -26.85 67.48 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.016 -0.428 . . . . 50.0 111.407 178.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.83 168.4 39.25 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 109.127 -1.589 . . . . 50.0 109.127 -174.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -157.63 176.7 12.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -177.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -130.96 162.62 29.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.117 -1.438 . . . . 50.0 107.117 175.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -150.96 155.01 38.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 177.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 60.0 p -115.28 85.02 12.21 Favored Pre-proline 0 C--O 1.245 0.826 0 CA-C-O 120.878 0.37 . . . . 25.0 110.729 179.004 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.62 157.75 48.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 N-CA-C 111.002 -0.422 . . . . 50.0 111.002 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -138.62 111.96 8.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.957 -1.127 . . . . 50.0 107.957 -178.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.207 -1.143 0 CA-C-O 123.566 1.65 . . . . 25.0 113.315 -177.009 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.088 0 CA-C-O 118.924 -0.931 . . . . 25.0 111.638 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt -63.96 -35.16 72.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 118.979 1.39 . . . . 25.0 113.792 -174.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p -66.74 -37.42 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 121.154 -0.966 . . . . 50.0 109.438 177.042 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -65.55 -36.51 84.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.287 -0.415 . . . . 25.0 110.112 179.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.84 -45.16 93.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.824 0.345 . . . . 50.0 110.659 179.297 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -79.91 -12.65 59.72 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.294 0.479 . . . . 50.0 112.294 -179.493 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -86.98 -42.68 12.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 50.0 110.032 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -83.94 -26.59 29.16 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 -177.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.505 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 12.2 t -136.38 179.01 6.62 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 107.299 -1.371 . . . . 50.0 107.299 177.557 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.77 114.94 36.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 118.881 0.764 . . . . 50.0 109.117 -176.221 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.1 m -75.93 118.05 18.31 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.663 -1.606 . . . . 25.0 106.663 171.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.3 p -71.77 170.74 12.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.351 -1.352 . . . . 50.0 107.351 176.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.07 -30.05 63.98 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 111.951 0.352 . . . . 50.0 111.951 -179.625 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -69.02 -37.99 78.96 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 121.27 0.557 . . . . 50.0 111.173 179.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -72.37 -38.47 68.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.137 -0.69 . . . . 50.0 109.137 178.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.13 -32.41 73.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.929 -0.578 . . . . 50.0 112.067 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -56.03 -27.09 51.73 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.576 0.584 . . . . 50.0 112.576 176.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.54 -26.76 68.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.637 0.606 . . . . 50.0 112.637 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -69.61 -18.18 63.59 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.63 0.253 . . . . 50.0 111.226 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.4 p -134.75 40.39 2.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.224 1.012 . . . . 50.0 109.727 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 . . . . . 0 C--O 1.208 -1.079 0 CA-C-O 124.001 1.858 . . . . 50.0 112.454 178.631 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.7 t80 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 119.058 -0.496 . . . . 25.0 109.747 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.16 128.75 71.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 179.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -71.54 127.74 33.57 Favored 'General case' 0 CA--C 1.506 -0.735 0 C-N-CA 120.106 -0.637 . . . . 50.0 109.848 -179.445 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -158.64 151.42 22.19 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 103.075 -2.935 . . . . 50.0 103.075 173.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.8 m-70 -66.77 142.91 57.21 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.695 -0.854 . . . . 50.0 108.695 175.085 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.05 112.98 21.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.999 0.428 . . . . 50.0 110.078 -176.639 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.42 151.01 50.92 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.706 -0.85 . . . . 50.0 108.706 179.342 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.54 -139.95 48.27 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.689 -0.767 . . . . 25.0 112.271 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -26.44 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -61.71 -30.07 70.52 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.84 -0.538 . . . . 50.0 111.008 178.718 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.53 -41.56 72.39 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-O 120.867 0.365 . . . . 50.0 110.253 178.215 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.6 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.43 0.633 . . . . 25.0 109.83 178.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -63.66 -35.97 82.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.086 -0.506 . . . . 50.0 111.024 179.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.76 -38.71 73.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.961 0.41 . . . . 25.0 110.27 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.59 -31.69 73.02 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.574 0.583 . . . . 50.0 112.574 -178.098 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.93 -41.69 83.28 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.712 -0.395 . . . . 25.0 110.705 176.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.95 -43.01 65.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.617 0.599 . . . . 50.0 112.617 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.55 -43.2 48.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.89 0.376 . . . . 50.0 111.476 -173.3 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -80.97 -20.22 42.39 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.75 -0.38 . . . . 50.0 110.199 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.95 -152.4 51.87 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.557 -0.83 . . . . 25.0 112.426 178.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -68.07 -6.15 21.26 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.036 1.125 . . . . 50.0 114.036 -178.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -68.72 -25.9 64.99 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.782 0.325 . . . . 50.0 110.534 177.293 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.33 179.68 52.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 110.587 -1.005 . . . . 50.0 110.587 -176.377 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -164.57 177.53 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 -178.102 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -128.42 160.15 33.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.38 -0.97 . . . . 50.0 108.38 176.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -147.34 140.5 25.2 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 179.222 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -94.78 107.84 33.58 Favored Pre-proline 0 C--O 1.241 0.649 0 N-CA-C 110.521 -0.177 . . . . 25.0 110.521 179.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -74.35 170.57 19.91 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 118.201 -0.733 . . . . 50.0 112.724 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.82 102.46 8.21 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.434 -1.321 . . . . 50.0 107.434 176.701 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.21 -1.009 0 CA-C-O 125.238 2.447 . . . . 25.0 112.788 -177.377 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.57 -0.612 . . . . 25.0 111.57 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -61.56 -35.25 65.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.712 1.005 . . . . 25.0 113.712 -174.08 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 p -69.44 -33.38 57.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.724 -0.61 . . . . 50.0 110.664 179.374 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -67.28 -46.01 74.89 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 176.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -59.59 -39.98 85.94 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.602 -0.272 . . . . 50.0 110.708 -179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.1 m -72.92 -28.55 62.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.542 0.941 . . . . 50.0 113.542 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.04 -48.04 11.89 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.232 0.456 . . . . 50.0 112.232 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -86.01 -19.39 30.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -174.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.554 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 8.1 t -141.67 -176.29 4.7 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.741 -0.466 . . . . 50.0 109.741 178.814 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.82 122.17 19.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.819 0.819 . . . . 50.0 111.88 -167.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -91.65 85.76 5.78 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 106.996 -1.483 . . . . 25.0 106.996 176.004 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -72.48 167.69 20.07 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.001 -0.741 . . . . 50.0 109.001 -178.329 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.49 -29.4 67.81 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 121.107 -0.237 . . . . 50.0 111.512 179.338 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -67.68 -38.97 84.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.341 0.591 . . . . 50.0 110.971 179.057 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -66.17 -40.21 90.33 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 108.352 -0.981 . . . . 50.0 108.352 176.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -64.77 -37.03 86.22 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.18 0.437 . . . . 50.0 112.18 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.36 -34.73 70.98 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.93 -0.481 . . . . 50.0 111.813 177.429 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -64.79 -26.89 68.54 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.388 0.884 . . . . 50.0 113.388 -178.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -68.07 -25.21 65.23 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.971 -0.455 . . . . 50.0 110.46 178.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.2 m -82.54 109.3 16.62 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.62 -0.881 . . . . 50.0 108.62 178.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.206 -1.189 0 CA-C-O 123.998 1.856 . . . . 50.0 113.4 -179.29 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 91.6 t80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 119.03 -0.509 . . . . 25.0 110.027 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.53 120.48 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -64.53 134.75 55.07 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 120.789 0.328 . . . . 50.0 111.134 -179.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.12 158.52 30.42 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 105.402 -2.073 . . . . 50.0 105.402 175.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.554 ' HD1' ' C ' ' A' ' 9' ' ' SER . 53.1 m-70 -69.43 142.62 53.8 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 105.896 -1.89 . . . . 50.0 105.896 168.607 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.8 mt -136.53 127.56 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.104 0.779 . . . . 50.0 113.104 -174.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -138.03 164.11 29.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.879 -0.786 . . . . 50.0 108.879 176.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.13 -140.96 38.25 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 114.457 0.543 . . . . 25.0 114.457 173.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -29.17 68.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -64.52 -35.44 80.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.152 -0.343 . . . . 50.0 111.006 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.15 -41.7 90.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.486 -0.561 . . . . 50.0 109.486 178.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.06 -40.79 86.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.207 -0.451 . . . . 25.0 110.986 179.08 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -61.41 -35.31 77.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.138 0.494 . . . . 50.0 110.513 178.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -34.03 65.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.907 -179.228 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.42 -34.08 77.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.425 -0.172 . . . . 50.0 111.279 179.431 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -59.68 -38.05 80.47 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 120.653 0.263 . . . . 25.0 110.441 175.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.97 -44.0 64.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.952 0.723 . . . . 50.0 112.952 -179.383 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.5 -42.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.281 -0.418 . . . . 50.0 111.797 -171.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.64 -11.99 40.94 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.956 -0.698 . . . . 50.0 110.817 179.039 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.93 -148.05 46.14 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-O 122.532 1.074 . . . . 25.0 113.788 175.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -15.02 61.85 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 116.084 1.883 . . . . 50.0 116.084 -176.784 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -73.3 -14.9 61.39 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.293 0.497 . . . . 50.0 111.569 -177.321 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.22 178.51 52.42 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-O 121.651 0.584 . . . . 50.0 112.952 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -166.41 178.39 6.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 103.702 -2.703 . . . . 25.0 103.702 -177.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -134.7 162.49 32.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.235 -1.765 . . . . 50.0 106.235 170.708 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -146.42 149.5 33.84 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 106.133 -1.803 . . . . 25.0 106.133 179.078 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.9 p -111.54 87.46 7.99 Favored Pre-proline 0 C--O 1.246 0.886 0 CA-C-O 120.717 0.294 . . . . 25.0 111.377 -178.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -72.85 159.3 48.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 N-CA-C 110.505 -0.614 . . . . 50.0 110.505 178.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -136.28 112.89 10.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.257 -1.016 . . . . 50.0 108.257 -178.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.21 -0.992 0 CA-C-O 124.927 2.299 . . . . 25.0 112.174 -178.218 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 CA-C-O 119.542 -0.588 . . . . 25.0 111.639 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.03 -36.2 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 113.845 1.054 . . . . 25.0 113.845 -174.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.27 -35.97 75.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 O-C-N 121.656 -0.653 . . . . 50.0 110.089 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -65.44 -43.3 90.86 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.734 -0.604 . . . . 25.0 109.38 177.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -57.05 -46.78 82.18 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.264 0.353 . . . . 50.0 110.221 179.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.2 m -72.43 -33.46 67.12 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.139 0.792 . . . . 50.0 113.139 -177.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.5 m -73.04 -53.42 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.871 0.323 . . . . 50.0 111.871 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 t -87.92 -16.19 34.55 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -172.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.544 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 84.5 p -144.79 -175.54 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.93 -0.481 . . . . 50.0 109.731 -178.632 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mm -68.23 121.52 17.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.807 0.813 . . . . 50.0 111.787 -167.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.58 150.02 20.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 104.835 -2.283 . . . . 25.0 104.835 173.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -141.97 167.38 22.28 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.079 -1.082 . . . . 50.0 108.079 179.417 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.84 -33.45 66.78 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 112.244 0.461 . . . . 50.0 112.244 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -66.22 -40.22 90.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.173 0.511 . . . . 50.0 111.082 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -69.98 -39.52 75.91 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.869 -0.789 . . . . 50.0 108.869 178.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.6 mt -60.89 -37.03 80.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.631 -0.713 . . . . 50.0 112.213 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.77 -35.3 68.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.34 0.496 . . . . 50.0 112.34 177.036 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -65.55 -26.9 68.09 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.435 0.902 . . . . 50.0 113.435 -177.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -68.95 -20.96 64.21 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.141 -0.349 . . . . 50.0 110.96 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.6 m -82.31 152.22 26.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.279 -0.637 . . . . 50.0 109.279 -179.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 t30 . . . . . 0 C--O 1.213 -0.864 0 CA-C-O 124.509 2.1 . . . . 50.0 111.75 178.282 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.9 t80 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 72.4 t -128.23 131.14 69.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 105.802 -1.925 . . . . 25.0 105.802 179.123 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -89.45 141.21 28.77 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 111.962 0.356 . . . . 50.0 111.962 -177.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.39 164.53 32.31 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 104.479 -2.415 . . . . 50.0 104.479 170.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.544 ' HD1' ' C ' ' A' ' 9' ' ' SER . 43.7 m-70 -61.1 125.91 25.43 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.811 -1.086 . . . . 50.0 110.275 176.891 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.52 120.78 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 123.736 0.815 . . . . 50.0 111.194 -177.1 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -142.85 158.85 43.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.522 -0.918 . . . . 50.0 108.522 177.65 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.86 -139.14 46.44 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.009 178.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -60.43 -28.64 68.44 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.868 0.692 . . . . 25.0 112.868 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -62.84 -36.63 83.86 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.661 -0.649 . . . . 50.0 110.623 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.26 -41.86 84.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.434 -0.58 . . . . 50.0 109.434 -179.423 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.72 -44.78 98.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.039 -0.528 . . . . 25.0 110.986 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -67.91 -28.25 67.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.689 -0.632 . . . . 50.0 111.814 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.59 -38.52 70.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 177.131 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.56 -35.28 80.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.476 -0.329 . . . . 50.0 111.828 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -57.01 -41.64 78.85 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 110.356 -0.239 . . . . 25.0 110.356 176.009 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.01 -43.87 64.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.274 0.842 . . . . 50.0 113.274 -179.064 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -73.96 -41.8 52.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.002 0.429 . . . . 50.0 111.534 -173.312 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -16.88 33.88 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.733 -0.787 . . . . 50.0 111.32 179.382 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.81 -147.07 50.27 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.404 -0.903 . . . . 25.0 112.973 176.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.3 mp0 -68.27 -8.01 35.73 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.398 0.888 . . . . 50.0 113.398 -177.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -70.94 -22.66 62.19 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.603 0.239 . . . . 50.0 110.598 178.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.24 176.7 51.14 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.287 -0.725 . . . . 50.0 111.287 -177.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -162.3 178.86 8.32 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 -177.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -136.27 164.63 27.64 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.68 -1.23 . . . . 50.0 107.68 174.332 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -148.3 147.27 29.12 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 105.232 -2.136 . . . . 25.0 105.232 177.089 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.5 p -118.82 85.0 27.02 Favored Pre-proline 0 C--O 1.24 0.57 0 CA-C-O 121.379 0.609 . . . . 25.0 111.717 -176.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -73.83 170.68 19.49 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 119.824 0.35 . . . . 50.0 112.091 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -134.55 132.37 39.05 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.227 -1.768 . . . . 50.0 106.227 177.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.21 -1.016 0 CA-C-O 124.39 2.043 . . . . 25.0 110.928 -176.149 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 CA-C-O 119.033 -0.871 . . . . 25.0 111.257 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.5 tt -59.57 -31.37 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 118.489 1.145 . . . . 25.0 112.796 -175.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.49 -40.6 88.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 122.166 -0.334 . . . . 50.0 110.6 178.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -63.55 -44.84 93.02 Favored 'General case' 0 CA--C 1.51 -0.572 0 O-C-N 121.971 -0.456 . . . . 25.0 110.831 179.152 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -59.32 -39.56 83.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.149 0.281 . . . . 50.0 110.895 -175.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.8 m -80.03 -29.18 39.27 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.956 0.354 . . . . 50.0 111.956 -178.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.1 t -71.95 -48.43 45.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.911 0.386 . . . . 50.0 110.281 -179.267 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -88.06 -19.6 26.89 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 114.348 1.24 . . . . 25.0 114.348 -176.015 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.528 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 7.2 t -141.51 -174.75 4.13 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 121.751 -0.593 . . . . 50.0 110.942 -177.799 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.65 117.15 32.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 121.669 -0.644 . . . . 50.0 110.908 -170.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 m -98.76 108.06 20.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 172.509 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -73.35 168.65 18.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.933 -1.506 . . . . 50.0 106.933 174.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -52.85 -30.42 33.58 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 113.737 1.014 . . . . 50.0 113.737 -177.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.38 -38.54 90.34 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.225 0.536 . . . . 50.0 111.755 -179.492 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -74.58 -38.37 62.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.609 0.719 . . . . 50.0 109.464 178.313 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.28 -34.91 79.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.377 -0.828 . . . . 50.0 112.5 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -53.11 -28.76 27.06 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.202 0.815 . . . . 50.0 113.202 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -61.57 -26.92 68.26 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.811 1.041 . . . . 50.0 113.811 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -71.88 -6.63 43.18 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.287 0.565 . . . . 50.0 111.051 179.042 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 m -110.55 140.76 44.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.883 -1.155 . . . . 50.0 107.883 -177.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 114.39 1.256 . . . . 50.0 114.39 -175.699 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.3 t80 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 119.019 -0.515 . . . . 25.0 109.781 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.72 121.92 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -73.49 130.25 39.69 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.171 0.51 . . . . 50.0 110.593 -178.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -160.08 151.98 20.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 104.672 -2.344 . . . . 50.0 104.672 174.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.528 ' HD1' ' C ' ' A' ' 9' ' ' SER . 69.2 m-70 -72.74 143.86 47.84 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.747 -1.575 . . . . 50.0 106.747 168.316 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.09 111.41 17.42 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.624 0.37 . . . . 50.0 110.99 -177.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.21 153.35 42.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.452 -0.944 . . . . 50.0 108.452 178.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.34 -143.24 48.54 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.558 -0.829 . . . . 25.0 111.719 -179.398 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.6 t -59.8 -29.15 68.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.639 0.607 . . . . 25.0 112.639 179.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -36.65 75.96 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.625 -0.672 . . . . 50.0 110.762 178.373 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp -68.17 -44.08 76.77 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 110.297 -0.26 . . . . 50.0 110.297 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.54 -44.92 99.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.121 0.486 . . . . 25.0 110.822 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -67.46 -30.76 70.57 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.174 -0.329 . . . . 50.0 111.673 -178.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.35 79.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.923 -0.486 . . . . 25.0 110.028 178.01 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.09 -31.78 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.49 0.552 . . . . 50.0 112.49 -177.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -59.21 -41.17 87.95 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 174.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.0 mt -71.8 -44.92 63.14 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.711 0.634 . . . . 50.0 112.711 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.3 -44.83 77.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.813 -0.63 . . . . 50.0 112.367 -171.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 94.8 m -94.9 -8.79 36.15 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.568 -0.453 . . . . 50.0 111.214 -178.155 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.86 -145.18 45.98 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-O 122.395 0.997 . . . . 25.0 113.661 174.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -68.96 -6.94 30.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 115.646 1.721 . . . . 50.0 115.646 -175.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -74.84 -15.38 60.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.276 0.944 . . . . 50.0 111.542 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.87 175.9 51.04 Favored Glycine 0 CA--C 1.517 0.172 0 N-CA-C 111.634 -0.587 . . . . 50.0 111.634 -177.133 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -164.62 176.52 8.82 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 -177.607 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -132.96 168.97 17.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.274 -1.38 . . . . 50.0 107.274 173.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -130.29 145.97 51.83 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.499 -1.296 . . . . 25.0 107.499 178.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.66 98.33 20.24 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 108.547 -0.908 . . . . 25.0 108.547 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.89 170.78 17.51 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 121.555 1.503 . . . . 50.0 111.469 -178.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -152.25 158.08 42.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 105.515 -2.031 . . . . 50.0 105.515 178.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.316 -0.872 0 CA-C-O 123.754 1.74 . . . . 25.0 111.618 177.886 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.807 0 CA-C-O 119.069 -0.851 . . . . 25.0 111.576 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -61.12 -39.59 82.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 118.673 1.236 . . . . 25.0 114.123 -173.156 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p -67.51 -34.88 71.17 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 O-C-N 121.726 -0.609 . . . . 50.0 110.052 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -65.78 -43.2 89.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.778 -0.453 . . . . 25.0 109.778 178.41 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.01 -41.23 97.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.373 -0.376 . . . . 50.0 110.501 -179.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.5 m -72.68 -28.06 62.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.477 0.547 . . . . 50.0 112.477 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -72.08 -45.04 62.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.253 -0.43 . . . . 50.0 110.436 178.337 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -87.76 -19.68 27.22 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -175.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.565 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 62.1 p -137.16 179.0 6.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.702 -0.624 . . . . 50.0 110.576 -177.756 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -74.84 115.42 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.829 0.823 . . . . 50.0 109.282 -170.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 t -88.46 75.73 8.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.995 -1.002 . . . . 25.0 108.298 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 m -64.82 168.39 6.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.617 -0.72 . . . . 50.0 110.481 -179.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.85 -27.89 45.79 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 113.641 0.978 . . . . 50.0 113.641 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -67.67 -38.1 83.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.19 0.519 . . . . 50.0 110.89 178.249 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -71.32 -38.72 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.373 -0.973 . . . . 50.0 108.373 178.469 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.02 -34.56 78.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.623 -0.717 . . . . 50.0 112.082 179.514 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.35 -26.61 65.21 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 122.071 -0.393 . . . . 50.0 111.935 176.6 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.69 -27.0 62.74 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 122.028 -0.42 . . . . 50.0 111.614 178.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -79.06 -28.13 43.15 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.836 -0.802 . . . . 50.0 108.836 175.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 t -75.19 95.49 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.831 -1.077 . . . . 50.0 112.331 -170.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 C--O 1.213 -0.847 0 CA-C-O 124.521 2.105 . . . . 50.0 111.419 -179.997 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.2 t80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 119.016 -0.516 . . . . 25.0 109.766 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.2 t -120.93 126.97 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.32 125.74 29.6 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 120.145 -0.622 . . . . 50.0 110.936 -178.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -160.28 153.71 22.2 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 104.283 -2.488 . . . . 50.0 104.283 173.213 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.565 ' HD1' ' C ' ' A' ' 9' ' ' SER . 62.2 m-70 -68.51 144.71 54.52 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.584 -1.636 . . . . 50.0 106.584 171.537 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.3 mt -129.57 117.51 20.55 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.562 -0.533 . . . . 50.0 109.562 -176.002 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -132.94 -55.8 0.93 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.322 0.86 . . . . 50.0 113.322 -174.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.61 -145.57 5.69 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 111.599 -0.601 . . . . 25.0 111.599 178.011 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -21.05 7.16 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.282 1.215 . . . . 25.0 114.282 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -55.85 -35.35 66.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.914 0.339 . . . . 50.0 111.914 173.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.92 -42.6 89.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.176 0.512 . . . . 50.0 109.804 -178.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.47 -41.74 83.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.429 179.316 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.0 -34.24 77.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.842 0.354 . . . . 50.0 110.99 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.44 -33.45 62.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.662 -0.245 . . . . 25.0 110.689 179.561 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.73 -32.72 74.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 119.638 -0.22 . . . . 50.0 111.518 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -58.89 -38.22 78.36 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.843 -0.343 . . . . 25.0 110.55 175.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -71.84 -42.63 66.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.501 0.556 . . . . 50.0 112.501 -179.411 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.27 -42.48 50.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.151 -0.477 . . . . 50.0 110.256 -174.358 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -78.44 -25.42 45.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.541 -0.3 . . . . 50.0 111.548 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.64 -141.96 46.04 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.091 -1.052 . . . . 25.0 110.953 -177.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -69.88 -9.34 54.52 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.145 1.535 . . . . 50.0 115.145 -178.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -73.2 -18.43 61.25 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.44 1.018 . . . . 50.0 111.438 -177.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.11 174.87 43.78 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.267 -0.492 . . . . 50.0 112.933 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -167.6 176.17 6.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.323 -2.103 . . . . 25.0 105.323 -179.723 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -137.81 163.14 32.14 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.092 -1.818 . . . . 50.0 106.092 172.224 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -140.83 140.92 34.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 177.599 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.8 p -112.32 110.78 53.07 Favored Pre-proline 0 C--O 1.244 0.772 0 CA-C-N 116.687 -0.233 . . . . 25.0 111.316 -177.361 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -69.06 158.21 58.76 Favored 'Trans proline' 0 C--N 1.351 0.708 0 N-CA-C 110.317 -0.686 . . . . 50.0 110.317 176.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -131.82 84.8 2.19 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 122.138 0.97 . . . . 50.0 111.878 -173.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.214 -0.813 0 CA-C-O 124.867 2.27 . . . . 25.0 111.153 179.469 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.471 -0.652 . . . . 25.0 111.471 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -68.78 -30.88 48.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 114.063 1.134 . . . . 25.0 114.063 -173.646 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.409 ' HA ' ' HH ' ' A' ' 19' ' ' TYR . 46.3 t -65.35 -49.7 77.17 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 O-C-N 121.157 -0.965 . . . . 50.0 111.596 -176.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -70.71 -28.68 64.92 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.054 -0.658 . . . . 25.0 109.728 -179.095 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -61.83 -44.21 97.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.625 -0.261 . . . . 50.0 110.342 177.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.3 m -83.24 -17.69 41.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.934 0.397 . . . . 50.0 112.036 179.591 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.7 t -73.93 -44.33 55.39 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.692 -0.484 . . . . 50.0 109.692 176.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -88.13 -26.57 22.4 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.142 0.793 . . . . 25.0 113.142 -178.014 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.549 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 63.1 m -126.0 172.07 10.26 Favored 'General case' 0 C--O 1.204 -1.32 0 O-C-N 122.057 -0.402 . . . . 50.0 110.874 -178.611 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.84 -43.39 86.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 N-CA-C 115.035 1.494 . . . . 50.0 115.035 -164.189 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 m 55.17 89.83 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.007 0.908 . . . . 25.0 112.82 -173.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.2 p -65.12 168.18 7.04 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.877 -0.786 . . . . 50.0 108.877 175.441 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.64 -28.09 30.92 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.956 1.095 . . . . 50.0 113.956 -177.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -67.5 -36.24 80.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.236 0.541 . . . . 50.0 111.596 179.154 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -73.9 -38.93 64.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.72 -0.844 . . . . 50.0 108.72 177.076 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.22 -32.15 73.48 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.781 -0.645 . . . . 50.0 112.408 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.76 -25.76 20.41 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.225 0.824 . . . . 50.0 113.225 177.204 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -63.72 -26.94 68.88 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.703 0.631 . . . . 50.0 112.703 178.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' HH ' ' HA ' ' A' ' 3' ' ' VAL . 78.4 m-85 -78.76 -12.42 60.02 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.246 0.461 . . . . 50.0 112.246 179.077 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.38 148.05 50.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.586 0.707 . . . . 50.0 112.04 -170.046 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.207 -1.138 0 CA-C-O 124.365 2.031 . . . . 50.0 113.335 -177.837 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 119.078 -0.487 . . . . 25.0 109.769 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 82.0 t -123.22 122.75 66.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.543 -1.651 . . . . 25.0 106.543 179.106 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.24 126.28 29.05 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.081 0.467 . . . . 50.0 111.111 -177.198 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -159.88 148.17 17.17 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.628 -2.36 . . . . 50.0 104.628 176.186 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.549 ' HD1' ' C ' ' A' ' 9' ' ' SER . 60.9 m-70 -66.8 143.19 57.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.132 -1.062 . . . . 50.0 108.132 171.612 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.05 105.27 12.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.423 0.63 . . . . 50.0 111.016 -175.515 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -139.95 152.92 46.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.617 -0.883 . . . . 50.0 108.617 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.5 -142.51 48.0 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.601 -0.809 . . . . 25.0 111.545 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -27.85 66.69 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 179.447 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -61.93 -35.04 77.25 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.958 -0.464 . . . . 50.0 111.142 179.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.1 tp -65.44 -44.45 87.27 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 109.626 -0.509 . . . . 50.0 109.626 178.139 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.08 -42.84 98.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.132 0.491 . . . . 25.0 110.494 -179.358 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.18 -36.33 83.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.04 0.448 . . . . 50.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.82 68.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.919 0.39 . . . . 25.0 110.266 -178.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.04 -29.46 69.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.577 0.584 . . . . 50.0 112.577 -177.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.86 -37.4 81.98 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.622 -0.431 . . . . 25.0 110.146 174.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.82 -43.02 66.29 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.288 0.477 . . . . 50.0 112.288 179.635 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.3 t -71.78 -43.9 69.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 50.0 110.603 -174.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -80.25 -24.71 39.95 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.596 -0.441 . . . . 50.0 111.773 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.54 -137.21 50.04 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 109.649 -1.381 . . . . 25.0 109.649 -176.271 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.47 -8.81 53.9 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.494 1.294 . . . . 50.0 114.494 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -70.02 -26.75 64.2 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.778 -0.576 . . . . 50.0 112.479 -178.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.93 170.74 36.23 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.776 -0.726 . . . . 50.0 112.828 -177.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -160.7 176.71 11.22 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.414 -2.069 . . . . 25.0 105.414 -177.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -137.16 163.15 31.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.823 -1.547 . . . . 50.0 106.823 175.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -144.08 140.84 29.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 178.746 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.0 p -116.68 120.88 33.75 Favored Pre-proline 0 C--O 1.242 0.705 0 N-CA-C 107.878 -1.156 . . . . 25.0 107.878 177.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -73.32 166.98 28.49 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 117.868 -0.954 . . . . 50.0 112.336 -177.66 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -132.73 99.6 4.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.204 -1.036 . . . . 50.0 108.204 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.206 -1.196 0 CA-C-O 123.634 1.683 . . . . 25.0 113.709 -178.636 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.858 0 CA-C-O 119.247 -0.751 . . . . 25.0 111.783 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -64.9 -41.05 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-N 118.505 1.153 . . . . 25.0 113.105 -176.267 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.56 -32.36 56.65 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 O-C-N 121.7 -0.625 . . . . 50.0 110.088 179.701 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -63.89 -45.72 88.1 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 178.069 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -65.37 -39.24 92.05 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.639 -0.255 . . . . 50.0 111.214 179.188 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 m -69.93 -34.32 73.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.503 0.557 . . . . 50.0 112.503 -178.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.9 m -74.76 -47.77 29.25 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.95 0.352 . . . . 50.0 111.95 178.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -88.06 -19.41 27.13 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -174.337 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.595 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 8.4 t -139.36 -174.44 3.87 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.905 -0.776 . . . . 50.0 108.905 -177.208 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm -74.92 116.83 18.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 121.452 -0.78 . . . . 50.0 111.461 -167.594 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -87.23 82.15 7.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 175.202 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.9 p -69.97 169.36 13.45 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.766 -0.827 . . . . 50.0 108.766 -178.457 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.46 -28.59 63.49 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 120.588 0.232 . . . . 50.0 111.561 179.303 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -69.82 -38.27 76.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.213 0.53 . . . . 50.0 111.114 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.4 -41.18 76.75 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.558 -0.905 . . . . 50.0 108.558 177.367 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.84 -36.58 83.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 50.0 111.983 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -57.69 -28.96 64.27 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.922 0.712 . . . . 50.0 112.922 178.615 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -70.72 -26.94 63.62 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.546 0.572 . . . . 50.0 112.546 179.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.03 -17.01 48.28 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.789 0.804 . . . . 50.0 109.67 177.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.1 158.68 20.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 122.474 1.131 . . . . 50.0 113.994 -166.193 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.2 t30 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 124.846 2.26 . . . . 50.0 110.695 174.146 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.3 t80 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 119.112 -0.47 . . . . 25.0 109.828 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.7 t -119.23 129.12 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 107.361 -1.348 . . . . 25.0 107.361 179.747 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -73.13 132.88 43.81 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.376 0.132 . . . . 50.0 110.74 -179.317 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -160.42 149.21 16.94 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.704 0.764 . . . . 50.0 108.982 178.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.595 ' HD1' ' C ' ' A' ' 9' ' ' SER . 67.8 m-70 -73.91 125.26 27.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.664 -1.153 . . . . 50.0 108.247 172.049 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.9 118.56 28.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.622 0.601 . . . . 50.0 112.622 -176.002 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -138.48 159.14 42.84 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.197 -1.038 . . . . 50.0 108.197 177.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.92 -138.38 49.61 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.872 -0.68 . . . . 25.0 112.74 178.006 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.3 p -60.97 -28.7 69.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.004 0.742 . . . . 25.0 113.004 -179.465 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -63.14 -35.84 81.61 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.627 -0.671 . . . . 50.0 110.703 178.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.29 -42.23 88.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.416 -0.587 . . . . 50.0 109.416 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -64.2 -44.86 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.894 179.228 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -65.52 -30.85 71.66 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.78 -0.575 . . . . 50.0 111.997 -178.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -35.47 74.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.87 0.367 . . . . 25.0 110.592 179.144 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.9 -29.1 69.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.115 0.783 . . . . 50.0 113.115 -177.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -59.41 -39.72 84.37 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 176.179 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.3 mt -71.35 -41.52 69.66 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.45 0.537 . . . . 50.0 112.45 -177.751 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.59 -36.89 42.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 50.0 110.186 -174.372 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -82.48 -28.25 31.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.014 -0.675 . . . . 50.0 112.493 178.785 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.92 -135.43 51.99 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 109.772 -1.331 . . . . 25.0 109.772 -175.463 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -68.23 -10.13 52.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 114.552 1.316 . . . . 50.0 114.552 -179.011 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -68.33 -24.68 64.85 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.034 0.753 . . . . 50.0 113.034 -178.455 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.26 170.58 23.63 Favored Glycine 0 C--O 1.221 -0.682 0 N-CA-C 109.697 -1.361 . . . . 50.0 109.697 -174.284 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -157.51 174.98 14.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -134.19 165.04 26.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.697 -1.594 . . . . 50.0 106.697 178.164 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -151.2 150.47 30.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 177.033 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.0 p -117.25 85.09 18.57 Favored Pre-proline 0 C--O 1.245 0.866 0 CA-C-O 120.97 0.414 . . . . 25.0 111.28 -179.402 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.28 165.65 29.02 Favored 'Trans proline' 0 C--N 1.346 0.402 0 N-CA-C 110.951 -0.442 . . . . 50.0 110.951 178.219 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -142.89 147.21 34.94 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 106.356 -1.72 . . . . 50.0 106.356 179.141 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.21 -0.978 0 CA-C-O 125.134 2.397 . . . . 25.0 112.215 -177.741 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.424 0 CA-C-O 118.187 -1.341 . . . . 25.0 111.387 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 tt -60.04 -37.01 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 120.098 1.949 . . . . 25.0 112.925 -172.358 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.77 -41.17 87.51 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 CA-C-O 121.526 0.679 . . . . 50.0 109.892 178.015 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.46 -41.28 96.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 25.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -63.84 -41.92 97.72 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.583 -0.447 . . . . 50.0 110.299 -179.461 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.6 m -75.26 -16.75 60.43 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.163 0.431 . . . . 50.0 112.163 -179.063 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -82.52 -44.56 15.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.387 -0.37 . . . . 50.0 110.446 176.681 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 t -83.66 -26.85 29.53 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -176.442 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.48 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 87.8 p -134.01 -179.45 5.56 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.357 -0.979 . . . . 50.0 108.357 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.76 115.14 38.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.297 -1.001 . . . . 50.0 108.297 -177.648 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.5 m -78.1 117.07 19.04 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 174.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -66.37 163.14 18.85 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.797 -1.186 . . . . 50.0 107.797 175.116 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.26 -33.29 52.44 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 -178.377 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -63.51 -38.04 89.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.382 0.611 . . . . 50.0 112.269 179.44 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -73.6 -38.13 65.22 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 178.044 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.2 -33.96 76.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 50.0 112.406 179.478 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.67 -23.33 27.74 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.431 0.9 . . . . 50.0 113.431 177.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -63.48 -26.78 68.88 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.867 0.691 . . . . 50.0 112.867 178.346 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -73.95 -10.74 59.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.064 0.459 . . . . 50.0 111.108 179.14 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.1 m -97.42 132.97 42.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.159 0.98 . . . . 50.0 110.409 -175.32 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.214 -0.778 0 CA-C-O 124.942 2.306 . . . . 50.0 112.317 179.707 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.1 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 119.092 -0.48 . . . . 25.0 109.733 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.93 122.23 53.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.8 107.67 12.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 121.407 0.622 . . . . 50.0 111.071 -178.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -147.07 143.85 28.65 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 104.298 -2.482 . . . . 50.0 104.298 174.187 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 65.5 m-70 -65.6 145.0 56.6 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.143 -0.688 . . . . 50.0 109.143 175.4 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.94 112.43 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.22 0.822 . . . . 50.0 113.22 -172.148 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 73.3 m -130.14 153.33 48.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.079 -0.711 . . . . 50.0 109.079 173.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.42 -136.73 46.34 Favored Glycine 0 C--O 1.228 -0.256 0 C-N-CA 120.941 -0.647 . . . . 25.0 113.444 175.542 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -27.11 65.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 179.877 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -64.82 -35.27 80.56 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.972 -0.455 . . . . 50.0 110.186 177.656 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 tp -69.64 -42.84 73.73 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.75 -0.463 . . . . 50.0 109.75 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.71 -43.07 96.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.593 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.87 -33.87 77.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.96 -0.462 . . . . 50.0 111.165 178.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.33 85.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.086 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 99.0 mt -65.69 -34.71 78.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.018 0.377 . . . . 50.0 112.018 -179.472 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -60.32 -38.09 82.65 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 110.398 -0.223 . . . . 25.0 110.398 175.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.96 -44.28 63.81 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.829 0.677 . . . . 50.0 112.829 178.533 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -68.58 -44.93 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.261 -0.427 . . . . 50.0 111.885 -173.046 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.9 m -100.77 -6.1 25.42 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.183 0.438 . . . . 50.0 112.183 -177.067 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.07 -148.95 45.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 119.843 -1.17 . . . . 25.0 113.069 176.007 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.86 -6.18 36.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 115.384 1.624 . . . . 50.0 115.384 -177.069 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -72.03 -15.33 62.03 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.318 0.963 . . . . 50.0 111.286 -178.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.98 176.48 50.03 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-O 121.605 0.558 . . . . 50.0 113.006 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -165.87 179.98 5.59 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 103.727 -2.694 . . . . 25.0 103.727 -178.3 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -134.99 164.52 27.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.076 -0.712 . . . . 50.0 109.076 177.561 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -148.11 142.37 26.19 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 179.039 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -109.94 97.38 29.08 Favored Pre-proline 0 C--O 1.24 0.56 0 CA-C-O 120.76 0.314 . . . . 25.0 110.914 -178.721 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.89 154.66 48.36 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 117.29 -1.34 . . . . 50.0 112.097 179.1 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -84.9 85.12 7.5 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 122.174 0.987 . . . . 50.0 109.641 178.887 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.208 -1.119 0 CA-C-O 123.545 1.64 . . . . 25.0 113.334 -177.983 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.775 0 CA-C-O 118.613 -1.104 . . . . 25.0 111.297 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.3 tt -63.03 -33.55 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 119.193 1.497 . . . . 25.0 112.544 -173.644 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.28 -43.57 95.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 N-CA-C 109.602 -0.518 . . . . 50.0 109.602 177.66 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -64.83 -37.84 88.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.333 -0.394 . . . . 25.0 110.663 179.858 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -61.75 -45.21 94.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.746 0.248 . . . . 50.0 110.894 178.128 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.2 m -73.15 -26.2 61.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.861 0.362 . . . . 50.0 111.654 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -75.22 -47.86 26.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.409 -0.36 . . . . 50.0 111.133 -179.196 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -87.19 -19.49 28.33 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.504 0.927 . . . . 25.0 113.504 -173.814 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.481 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 64.1 m -144.31 178.25 8.05 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.41 -0.959 . . . . 50.0 108.41 -179.886 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.78 108.22 20.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.289 -1.004 . . . . 50.0 108.289 -176.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -83.83 143.85 29.66 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 174.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.2 p -79.77 170.3 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.172 -0.33 . . . . 50.0 110.163 -176.537 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.7 -28.09 68.38 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 120.612 0.244 . . . . 50.0 111.634 178.665 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.46 -39.07 74.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.257 0.551 . . . . 50.0 109.719 179.294 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -68.25 -37.49 80.81 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.006 -0.739 . . . . 50.0 109.006 177.404 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.36 -36.66 80.83 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 116.018 -0.537 . . . . 50.0 111.825 176.214 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -63.85 -14.19 51.09 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.369 1.248 . . . . 50.0 114.369 178.765 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -64.37 -26.8 68.63 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.679 -0.638 . . . . 50.0 111.336 173.276 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -72.37 -11.81 60.85 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.356 -0.215 . . . . 50.0 111.47 178.734 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.0 m -67.37 143.09 56.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.334 -0.988 . . . . 50.0 108.334 179.605 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 t30 . . . . . 0 C--O 1.209 -1.034 0 CA-C-O 124.39 2.043 . . . . 50.0 113.413 -178.205 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.4 t80 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -84.53 142.12 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 -178.756 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -79.57 135.7 36.67 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.002 -0.679 . . . . 50.0 110.172 178.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -160.14 148.31 16.82 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 104.243 -2.503 . . . . 50.0 104.243 169.671 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.481 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.6 m-70 -71.56 140.75 49.97 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.659 -1.237 . . . . 50.0 107.659 171.391 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.28 105.44 12.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.703 -0.48 . . . . 50.0 109.703 -177.237 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 t -139.97 152.32 46.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.374 -0.972 . . . . 50.0 108.374 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.24 -140.19 48.09 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.64 -0.79 . . . . 25.0 111.157 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -59.55 -29.48 67.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -35.02 76.76 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.999 -0.438 . . . . 50.0 111.065 179.762 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.07 -45.38 81.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.668 -0.493 . . . . 50.0 109.668 178.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.15 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.008 0.432 . . . . 25.0 110.827 -179.405 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.28 -36.3 83.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.951 0.405 . . . . 50.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.36 70.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.976 0.417 . . . . 25.0 109.882 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.44 -32.61 74.1 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.969 0.729 . . . . 50.0 112.969 -177.225 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -58.42 -42.86 88.2 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.731 -0.388 . . . . 25.0 110.311 175.718 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.87 -45.56 60.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.012 0.745 . . . . 50.0 113.012 179.538 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -69.85 -39.46 77.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-O 121.49 0.662 . . . . 50.0 111.575 -173.239 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -88.67 -23.84 22.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.057 -0.52 . . . . 50.0 111.526 -179.456 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.85 -150.92 51.94 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.007 -1.092 . . . . 25.0 111.316 -177.129 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.35 -6.4 24.1 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.672 1.36 . . . . 50.0 114.672 -178.566 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -66.39 -23.61 66.35 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.79 0.663 . . . . 50.0 112.79 -177.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.59 152.62 13.61 Favored Glycine 0 C--O 1.228 -0.267 0 CA-C-O 121.831 0.684 . . . . 50.0 112.824 179.131 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -151.25 174.38 13.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 -174.106 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -126.81 164.3 21.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.119 -0.697 . . . . 50.0 109.119 178.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -144.18 140.92 29.62 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.526 -1.657 . . . . 25.0 106.526 177.752 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -110.13 94.19 17.43 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.957 0.408 . . . . 25.0 110.509 -179.066 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.48 172.23 16.71 Favored 'Trans proline' 0 C--N 1.348 0.515 0 CA-C-O 121.065 0.361 . . . . 50.0 112.077 178.834 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 117.54 28.24 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.844 -0.799 . . . . 50.0 108.844 175.374 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 C--O 1.212 -0.875 0 CA-C-O 122.039 0.923 . . . . 25.0 110.329 178.02 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.38 -0.688 . . . . 25.0 111.38 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.3 tt -63.22 -34.25 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.602 0.964 . . . . 25.0 113.602 -173.441 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.5 p -72.1 -27.13 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.268 -0.895 . . . . 50.0 111.232 -179.055 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -71.74 -28.73 63.86 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.515 -0.74 . . . . 25.0 110.539 -179.407 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -56.46 -36.33 68.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.968 0.413 . . . . 50.0 111.065 -178.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.1 m -100.8 -11.96 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.272 0.841 . . . . 50.0 113.272 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t -95.65 -45.36 7.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.456 0.91 . . . . 50.0 113.456 -176.433 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 t -75.49 -18.96 59.68 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.171 0.51 . . . . 25.0 111.368 -175.235 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.6 t -150.08 -168.98 3.26 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.5 -1.667 . . . . 50.0 106.5 177.434 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mt -106.87 101.02 11.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.196 0.522 . . . . 50.0 109.691 -172.215 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 p -77.14 150.41 35.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 177.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.4 p -87.33 169.71 12.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.566 -0.288 . . . . 50.0 110.362 -177.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.35 -27.97 67.8 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.952 0.406 . . . . 50.0 111.289 177.085 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -68.5 -36.37 78.81 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 121.471 0.653 . . . . 50.0 110.354 179.08 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -71.03 -38.18 72.58 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.983 -0.747 . . . . 50.0 108.983 177.201 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.52 -33.24 73.49 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 112.477 0.547 . . . . 50.0 112.477 178.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -55.68 -27.79 52.07 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.234 0.827 . . . . 50.0 113.234 177.84 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.01 -26.99 67.79 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.813 0.671 . . . . 50.0 112.813 178.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -80.06 -8.28 59.3 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.743 0.417 . . . . 50.0 111.281 -175.681 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.7 m -73.57 150.45 41.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.909 0.861 . . . . 50.0 111.455 -174.71 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.207 -1.155 0 CA-C-O 123.176 1.465 . . . . 50.0 112.487 -179.381 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.9 t80 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.79 139.44 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 -178.782 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -80.92 137.86 36.13 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.407 0.622 . . . . 50.0 110.037 179.137 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -159.94 146.59 16.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.477 -2.046 . . . . 50.0 105.477 173.375 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 83.6 m-70 -69.06 140.5 54.89 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 105.97 -1.863 . . . . 50.0 105.97 167.589 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 85.5 mt -120.3 105.31 10.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.287 0.565 . . . . 50.0 111.254 -174.668 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 18.1 m -126.25 145.16 50.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.167 -0.679 . . . . 50.0 109.167 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.17 -132.47 50.91 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.572 -0.823 . . . . 25.0 113.294 176.485 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -27.27 65.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -62.98 -40.69 98.5 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.589 -0.694 . . . . 50.0 109.651 177.294 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.28 -42.78 87.93 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.694 -0.484 . . . . 50.0 109.694 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.62 -45.51 94.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.032 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -66.62 -33.63 76.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.883 -0.511 . . . . 50.0 111.67 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.41 73.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 179.507 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 mt -66.49 -31.05 71.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.165 0.802 . . . . 50.0 113.165 -177.697 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -57.28 -41.63 80.1 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.751 -0.38 . . . . 25.0 109.998 175.778 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -72.06 -44.8 62.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.212 0.819 . . . . 50.0 113.212 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.96 -40.55 68.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.45 . . . . 50.0 110.767 -173.529 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -84.74 -22.93 29.5 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.591 -0.444 . . . . 50.0 111.949 -178.714 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.19 -140.16 48.17 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.022 -1.085 . . . . 25.0 111.771 -177.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -67.86 -10.05 49.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.044 1.127 . . . . 50.0 114.044 -177.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.24 -17.93 62.47 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.076 -0.39 . . . . 50.0 111.856 -179.409 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.0 177.56 29.27 Favored Glycine 0 N--CA 1.452 -0.284 0 N-CA-C 110.794 -0.923 . . . . 50.0 110.794 -177.161 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -161.46 177.8 9.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 -177.076 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -129.8 162.85 27.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.222 -0.659 . . . . 50.0 109.222 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -142.13 139.65 32.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 179.424 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.4 p -111.5 95.55 27.55 Favored Pre-proline 0 C--O 1.24 0.572 0 CA-C-O 120.816 0.341 . . . . 25.0 111.007 -177.2 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.19 153.88 46.33 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 117.415 -1.257 . . . . 50.0 111.998 179.317 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 85.78 7.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.783 0.802 . . . . 50.0 109.49 178.423 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 122.676 1.227 . . . . 25.0 111.016 179.339 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.473 0 CA-C-O 119.218 -0.768 . . . . 25.0 111.597 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.6 tt -61.4 -30.89 48.97 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 CA-C-N 118.323 1.061 . . . . 25.0 113.831 -173.761 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.38 -35.22 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 121.179 -0.95 . . . . 50.0 111.056 -179.77 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -68.65 -31.25 70.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.409 -0.36 . . . . 25.0 111.424 -177.182 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -56.53 -38.79 72.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.462 . . . . 50.0 110.526 -179.149 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -97.19 -21.83 17.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.825 0.676 . . . . 50.0 112.825 -178.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -87.56 -47.1 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.483 0.92 . . . . 50.0 113.483 -176.236 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -84.99 -17.75 36.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.376 -0.53 . . . . 25.0 110.921 -176.673 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.479 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 27.6 p -146.0 176.99 9.29 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 -178.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mm -89.21 131.19 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 106.93 -1.507 . . . . 50.0 106.93 -175.89 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -114.44 151.74 32.7 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.138 -1.801 . . . . 25.0 106.138 173.886 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -85.81 169.08 13.69 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.89 -0.411 . . . . 50.0 109.89 -177.836 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.44 -28.12 69.58 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 120.738 0.304 . . . . 50.0 110.974 178.336 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -68.51 -37.21 79.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.466 0.65 . . . . 50.0 110.193 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -69.18 -33.61 73.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.284 176.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.53 -34.2 77.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.273 -0.422 . . . . 50.0 111.554 176.823 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -56.76 -30.37 63.53 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.86 -0.525 . . . . 50.0 112.1 178.204 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.32 -26.96 68.15 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.092 0.775 . . . . 50.0 113.092 -179.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -68.02 -23.78 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.145 -0.347 . . . . 50.0 110.576 -178.49 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m -84.89 52.97 2.56 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.561 0.696 . . . . 50.0 110.339 179.414 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.215 -0.756 0 CA-C-O 124.718 2.199 . . . . 50.0 111.956 -178.512 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.9 t -109.14 130.83 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 107.874 -1.158 . . . . 25.0 107.874 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -72.8 129.22 37.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.621 0.724 . . . . 50.0 110.432 178.47 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -160.3 145.82 15.05 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 104.197 -2.52 . . . . 50.0 104.197 174.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.479 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 75.9 m-70 -64.57 141.68 58.69 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.532 -0.914 . . . . 50.0 108.532 172.847 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.11 108.21 14.42 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 123.208 0.603 . . . . 50.0 111.388 -176.262 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 m -127.83 149.37 50.31 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.323 -0.991 . . . . 50.0 108.323 177.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.04 -136.08 48.62 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.725 -0.75 . . . . 25.0 113.158 177.768 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -26.46 65.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.822 1.045 . . . . 25.0 113.822 179.7 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -32.61 73.73 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.504 -0.747 . . . . 50.0 110.327 178.144 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.41 -40.71 73.7 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 120.844 0.354 . . . . 50.0 110.205 178.109 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.07 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.108 0.48 . . . . 25.0 110.303 178.71 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -69.51 -27.27 65.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.768 -0.582 . . . . 50.0 112.273 -178.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.76 -42.05 74.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 175.878 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.27 -33.44 75.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.266 -0.425 . . . . 50.0 111.913 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -55.12 -43.98 74.57 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 120.897 0.38 . . . . 25.0 110.151 175.13 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -71.92 -42.83 66.23 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.081 0.771 . . . . 50.0 113.081 -179.041 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -71.63 -43.91 70.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 50.0 111.653 -173.435 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.68 -15.99 33.46 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.739 -0.784 . . . . 50.0 111.233 179.791 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.24 -150.3 50.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.532 -0.842 . . . . 25.0 113.376 174.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -67.82 -6.39 21.15 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -178.4 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -70.18 -20.8 63.1 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.017 -0.427 . . . . 50.0 110.441 178.176 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.59 171.85 48.5 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.32 -0.712 . . . . 50.0 111.32 -178.363 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -166.37 177.74 6.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.977 -2.231 . . . . 25.0 104.977 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -137.51 164.03 29.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.852 -1.536 . . . . 50.0 106.852 171.464 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -143.59 142.63 31.15 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 177.391 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.6 p -108.81 97.99 27.03 Favored Pre-proline 0 C--O 1.243 0.727 0 CA-C-O 121.038 0.447 . . . . 25.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -69.42 167.01 25.22 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 117.991 -0.873 . . . . 50.0 111.123 177.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 98.03 5.81 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.355 -0.98 . . . . 50.0 108.355 -178.739 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.205 -1.248 0 CA-C-O 123.616 1.674 . . . . 25.0 113.392 -177.918 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.98 0 CA-C-O 119.01 -0.883 . . . . 25.0 111.13 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -59.27 -34.92 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-N 118.543 1.171 . . . . 25.0 112.871 -174.753 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 p -60.3 -28.36 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.941 0.719 . . . . 50.0 112.941 -179.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -66.48 -34.2 77.4 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 121.396 -0.815 . . . . 25.0 111.49 -176.365 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -58.84 -32.0 69.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.378 0.423 . . . . 50.0 111.88 -176.12 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.6 m -99.94 -26.24 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.178 0.436 . . . . 50.0 112.178 178.013 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.7 t -75.0 -48.37 24.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.321 0.489 . . . . 50.0 112.321 -177.055 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -88.09 -18.95 27.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 -175.063 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.499 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 21.8 p -144.29 174.12 11.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.25 -0.281 . . . . 50.0 111.038 -175.842 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.1 mm -80.8 135.73 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.471 -1.678 . . . . 50.0 106.471 -174.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 p -129.98 156.53 44.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 175.534 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -110.72 173.8 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.953 -0.388 . . . . 50.0 109.953 -175.515 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.38 -28.65 67.08 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.109 0.411 . . . . 50.0 112.109 179.382 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -68.95 -36.73 78.28 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 121.478 0.656 . . . . 50.0 110.085 179.441 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -74.76 -33.8 62.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.905 -0.589 . . . . 50.0 110.291 177.164 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.48 -32.06 73.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.53 . . . . 50.0 111.365 177.28 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.61 -24.34 55.88 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 112.796 0.665 . . . . 50.0 112.796 177.055 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -68.13 -26.98 66.06 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.552 0.575 . . . . 50.0 112.552 178.664 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.48 -26.0 59.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.611 -0.885 . . . . 50.0 108.611 179.454 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.68 128.71 36.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.46 -1.311 . . . . 50.0 107.46 -179.315 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.209 -1.028 0 CA-C-O 122.757 1.265 . . . . 50.0 112.566 -175.85 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.995 -0.526 . . . . 25.0 109.641 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.7 p -138.16 137.78 43.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 106.181 -1.785 . . . . 25.0 106.181 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -75.83 127.41 32.95 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.24 0.543 . . . . 50.0 110.717 -178.001 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -160.27 153.06 21.27 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 104.137 -2.542 . . . . 50.0 104.137 173.264 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.499 ' HD1' ' C ' ' A' ' 9' ' ' SER . 65.7 m-70 -66.89 139.83 57.75 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 105.59 -2.004 . . . . 50.0 105.59 169.765 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -120.33 110.97 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.403 -0.962 . . . . 50.0 108.403 -176.553 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -146.6 161.94 39.47 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.901 -1.518 . . . . 50.0 106.901 -178.067 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.31 -142.84 48.28 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 110.016 -1.234 . . . . 25.0 110.016 -177.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.28 -31.73 69.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -60.9 -34.25 74.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.903 -0.498 . . . . 50.0 111.736 -179.049 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -69.35 -48.53 61.05 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.32 -0.552 . . . . 50.0 110.834 -179.384 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.1 -32.82 57.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 120.22 -0.592 . . . . 25.0 110.262 -177.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.2 -40.32 94.04 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.986 -0.446 . . . . 50.0 110.479 177.292 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.34 84.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.733 0.301 . . . . 25.0 110.231 179.443 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -65.39 -31.29 72.31 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.583 0.586 . . . . 50.0 112.583 -178.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -61.04 -37.98 84.5 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.381 -0.527 . . . . 25.0 110.185 176.03 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.88 -43.15 65.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.404 0.52 . . . . 50.0 112.404 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.1 t -74.6 -42.17 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.002 0.429 . . . . 50.0 111.051 -174.04 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 90.5 m -75.15 -28.42 60.12 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.523 -0.471 . . . . 50.0 109.929 177.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.94 -143.54 48.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.336 -0.935 . . . . 25.0 111.419 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.81 -6.41 26.66 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.169 1.174 . . . . 50.0 114.169 -179.077 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -68.72 -27.77 66.24 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.119 0.418 . . . . 50.0 110.991 178.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.52 171.74 36.85 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.631 -0.988 . . . . 50.0 110.631 -176.062 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -169.8 176.08 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 -178.344 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -132.22 159.82 37.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.177 -2.157 . . . . 50.0 105.177 170.298 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -137.67 139.96 40.54 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -178.074 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.02 99.79 52.93 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-O 121.796 0.808 . . . . 25.0 110.502 -177.416 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.83 159.53 24.53 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 121.145 1.23 . . . . 50.0 110.594 177.666 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -86.48 85.04 7.3 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.507 -0.923 . . . . 50.0 108.507 176.616 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.212 -0.884 0 CA-C-O 125.077 2.37 . . . . 25.0 111.307 179.511 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.902 0 CA-C-O 118.839 -0.978 . . . . 25.0 111.685 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 tt -64.56 -38.27 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 118.804 1.302 . . . . 25.0 113.284 -174.471 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.07 -38.68 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.446 0.641 . . . . 50.0 109.548 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -63.54 -43.44 97.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 25.0 110.379 178.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -60.61 -43.04 97.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 50.0 110.851 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.3 m -73.94 -26.76 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.99 -0.55 . . . . 50.0 112.465 179.62 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.08 -49.3 29.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.044 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -87.08 -25.27 24.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -174.17 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.563 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 7.6 t -132.43 -178.21 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.75 -0.593 . . . . 50.0 110.538 -178.346 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mm -73.41 120.64 22.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.756 0.789 . . . . 50.0 109.535 -170.232 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.13 85.29 6.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.197 -0.911 . . . . 25.0 109.02 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 m -63.54 159.34 18.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.021 -0.536 . . . . 50.0 110.124 179.608 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.0 -27.99 62.06 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.98 0.733 . . . . 50.0 112.98 -179.766 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -67.57 -36.55 81.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.279 0.562 . . . . 50.0 111.12 178.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -68.63 -40.22 80.4 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 50.0 108.004 177.674 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.32 -36.96 85.44 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.506 -0.77 . . . . 50.0 112.436 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -58.33 -25.05 61.48 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.172 1.175 . . . . 50.0 114.172 -179.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -66.8 -26.89 67.16 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.992 -0.443 . . . . 50.0 112.155 178.858 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -79.44 -8.16 58.92 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.511 0.325 . . . . 50.0 111.605 -178.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.55 147.66 45.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 122.339 1.066 . . . . 50.0 111.52 -173.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.3 t30 . . . . . 0 C--O 1.214 -0.775 0 CA-C-O 124.832 2.253 . . . . 50.0 111.206 178.043 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.2 t80 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 119.033 -0.508 . . . . 25.0 109.756 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -109.58 122.57 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -179.846 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -75.34 128.3 35.09 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.036 0.446 . . . . 50.0 111.313 -177.705 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -160.19 153.36 21.84 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 104.876 -2.268 . . . . 50.0 104.876 173.368 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.563 ' HD1' ' C ' ' A' ' 9' ' ' SER . 65.6 m-70 -68.43 142.76 55.29 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.574 -1.639 . . . . 50.0 106.574 170.511 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.2 110.77 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.582 -0.525 . . . . 50.0 109.582 -176.649 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -133.44 -39.89 0.9 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.608 1.336 . . . . 50.0 114.608 -175.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.65 -143.39 9.22 Favored Glycine 0 N--CA 1.457 0.044 0 N-CA-C 110.783 -0.927 . . . . 25.0 110.783 178.589 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -54.95 -26.66 37.89 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.89 0.476 . . . . 25.0 112.188 177.264 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -52.83 -37.43 60.06 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.897 0.702 . . . . 50.0 112.897 176.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.9 tp -67.12 -43.8 81.51 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.918 0.389 . . . . 50.0 110.181 -177.066 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.43 -40.95 83.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.189 0.518 . . . . 25.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.68 -34.23 77.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 50.0 110.992 -179.324 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.01 -32.43 65.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.981 0.419 . . . . 25.0 110.499 -179.43 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.39 -30.27 70.61 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.357 0.503 . . . . 50.0 112.357 -178.369 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -60.72 -37.73 82.7 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.678 -0.409 . . . . 25.0 109.98 175.677 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.4 mt -71.84 -47.14 55.17 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.599 0.592 . . . . 50.0 112.599 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -76.15 -41.32 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.998 -0.547 . . . . 50.0 111.197 -171.471 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -86.06 -10.9 54.14 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.074 -0.251 . . . . 50.0 111.561 -179.444 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.1 -137.53 23.38 Favored Glycine 0 CA--C 1.519 0.321 0 CA-C-O 122.395 0.997 . . . . 25.0 114.54 176.436 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -72.93 -6.27 44.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.589 1.329 . . . . 50.0 114.589 -178.369 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.6 -18.79 50.84 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.801 -0.562 . . . . 50.0 110.509 -177.326 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.64 172.74 48.58 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.899 -0.88 . . . . 50.0 110.899 -178.687 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -156.76 174.02 16.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -177.208 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -131.08 160.94 33.18 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.435 -1.691 . . . . 50.0 106.435 176.385 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -148.54 141.1 24.39 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 179.342 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 48.2 p -101.05 103.3 24.47 Favored Pre-proline 0 C--O 1.244 0.785 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 179.112 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.78 166.62 28.91 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.978 -0.882 . . . . 50.0 112.673 -178.199 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -84.7 94.84 8.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.269 -1.382 . . . . 50.0 107.269 177.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.204 -1.294 0 CA-C-O 123.989 1.852 . . . . 25.0 113.105 -178.398 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.048 -0.821 . . . . 25.0 111.048 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -56.82 -35.71 47.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 113.962 1.097 . . . . 25.0 113.962 -171.096 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.02 -35.82 73.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.667 -0.646 . . . . 50.0 110.779 178.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -70.73 -43.2 69.4 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.405 -0.809 . . . . 25.0 108.998 176.366 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -58.4 -38.35 77.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.35 -0.386 . . . . 50.0 111.287 -179.414 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.0 m -80.66 -33.52 35.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.1 0.778 . . . . 50.0 113.1 177.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.7 t -73.81 -54.39 8.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.864 0.32 . . . . 50.0 111.864 -176.156 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -88.02 -18.72 28.36 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -174.154 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.565 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 14.7 p -137.93 -176.53 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.224 -0.658 . . . . 50.0 109.224 -177.859 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.7 mm -72.34 122.78 25.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.756 0.789 . . . . 50.0 112.225 -166.22 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 t -92.8 96.77 10.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.68 -1.23 . . . . 25.0 107.68 176.625 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.5 p -75.68 167.06 22.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.607 -0.886 . . . . 50.0 108.607 -179.46 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -60.92 -27.86 68.51 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 122.111 -0.368 . . . . 50.0 111.011 178.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -68.98 -37.7 78.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.494 0.664 . . . . 50.0 110.926 178.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -67.52 -38.83 84.83 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.087 -1.079 . . . . 50.0 108.087 176.593 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.51 -36.96 85.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.203 -0.31 . . . . 50.0 111.589 177.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.78 -26.22 67.96 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.499 0.555 . . . . 50.0 112.499 176.899 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.98 -26.78 63.3 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.091 0.404 . . . . 50.0 112.091 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -79.97 -12.37 59.72 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.143 0.497 . . . . 50.0 110.738 177.776 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.38 147.82 49.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.441 0.639 . . . . 50.0 110.641 -171.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.5 t30 . . . . . 0 C--O 1.206 -1.195 0 CA-C-O 124.313 2.006 . . . . 50.0 113.017 -178.849 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 119.015 -0.517 . . . . 25.0 109.794 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.0 p -133.36 143.58 38.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 -179.441 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.04 140.39 52.82 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.273 0.558 . . . . 50.0 111.342 -177.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -160.19 150.78 18.66 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 106.371 -1.715 . . . . 50.0 106.371 172.681 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.565 ' HD1' ' C ' ' A' ' 9' ' ' SER . 66.9 m-70 -70.12 142.25 52.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.46 -2.052 . . . . 50.0 105.46 166.911 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -136.38 118.76 15.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.205 0.526 . . . . 50.0 111.306 -176.594 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.39 158.98 43.2 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.652 -0.87 . . . . 50.0 108.652 -178.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.59 -144.7 47.76 Favored Glycine 0 C--O 1.229 -0.187 0 C-N-CA 120.831 -0.7 . . . . 25.0 112.532 179.25 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -27.62 66.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 179.5 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.68 -36.9 84.4 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.924 -0.485 . . . . 50.0 110.475 178.543 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.72 -44.03 82.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 179.248 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.36 -42.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.272 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.99 -32.66 74.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.821 -0.55 . . . . 50.0 111.578 179.718 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.82 68.34 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -65.56 -32.08 73.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.942 0.349 . . . . 50.0 111.942 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -62.1 -35.18 77.94 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.531 176.248 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.82 -42.95 66.38 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.392 0.516 . . . . 50.0 112.392 179.25 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -75.3 -40.86 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.244 0.545 . . . . 50.0 111.069 -173.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.7 m -83.27 -22.18 33.09 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.8 -0.36 . . . . 50.0 110.972 178.868 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.1 -150.5 50.38 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 109.81 -1.316 . . . . 25.0 109.81 -176.468 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.75 -6.46 15.95 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.442 1.275 . . . . 50.0 114.442 179.395 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -72.25 -22.03 61.29 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 122.122 -0.361 . . . . 50.0 111.637 -178.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.24 176.08 48.11 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-O 121.898 0.721 . . . . 50.0 114.363 178.332 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -161.13 179.78 8.12 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.873 -2.269 . . . . 25.0 104.873 -177.107 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -127.44 158.72 36.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.455 -1.313 . . . . 50.0 107.455 177.002 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -146.8 142.01 27.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.19 97.87 44.99 Favored Pre-proline 0 C--O 1.244 0.78 0 CA-C-O 121.778 0.799 . . . . 25.0 109.519 -177.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.65 156.53 24.59 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 121.154 1.236 . . . . 50.0 111.649 -179.213 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -96.06 100.25 11.93 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.797 -0.816 . . . . 50.0 108.797 178.21 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 C--O 1.211 -0.939 0 CA-C-O 125.218 2.437 . . . . 25.0 112.121 179.933 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.303 0 N-CA-C 111.256 -0.738 . . . . 25.0 111.256 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 tt -58.75 -37.33 65.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -171.24 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.23 -38.58 79.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 O-C-N 121.662 -0.649 . . . . 50.0 110.459 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -65.64 -43.94 87.91 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.416 -0.802 . . . . 25.0 108.848 177.644 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.79 -37.14 78.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.428 -0.351 . . . . 50.0 111.774 -178.338 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.5 m -83.03 -28.74 29.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.591 0.589 . . . . 50.0 112.591 179.456 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.0 m -77.78 -48.19 17.18 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.155 0.428 . . . . 50.0 112.155 179.554 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -87.96 -18.08 29.87 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -176.204 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.482 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.7 t -137.12 -169.34 2.47 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 107.253 -1.388 . . . . 50.0 107.253 178.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -110.45 118.5 57.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 119.004 0.82 . . . . 50.0 109.936 -175.619 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 m -82.02 131.83 35.25 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.979 -0.748 . . . . 25.0 108.979 175.282 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.5 p -75.39 168.25 20.36 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.41 -1.329 . . . . 50.0 107.41 175.322 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.11 -32.32 67.99 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 111.856 0.317 . . . . 50.0 111.856 -179.704 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -66.82 -38.74 87.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 121.355 0.598 . . . . 50.0 111.368 179.806 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -69.02 -39.37 79.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 177.459 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.47 -33.95 76.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.033 -0.53 . . . . 50.0 112.129 179.502 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.65 -22.01 31.48 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.598 0.962 . . . . 50.0 113.598 178.012 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -65.49 -27.02 68.18 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.734 -0.603 . . . . 50.0 112.417 177.641 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -76.96 -11.44 59.81 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.285 0.564 . . . . 50.0 110.371 177.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.75 101.67 14.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.196 0.522 . . . . 50.0 110.382 -173.632 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 126.526 3.06 . . . . 50.0 111.917 -178.052 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.17 132.51 58.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 105.562 -2.014 . . . . 25.0 105.562 178.569 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.08 127.0 31.79 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 120.063 -0.655 . . . . 50.0 110.912 -176.556 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -160.18 150.44 18.4 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 102.963 -2.976 . . . . 50.0 102.963 173.644 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.482 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.0 m-70 -68.33 138.99 55.87 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.312 -0.625 . . . . 50.0 109.312 177.517 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.07 105.33 11.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.304 0.573 . . . . 50.0 111.444 -172.846 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.3 153.41 43.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.795 -1.187 . . . . 50.0 107.795 178.194 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.76 -134.58 51.17 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.487 -0.863 . . . . 25.0 111.738 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.4 p -60.59 -30.22 69.69 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 179.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -65.35 -32.24 73.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.702 -0.624 . . . . 50.0 111.798 179.586 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -68.61 -42.05 78.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.286 -0.635 . . . . 50.0 109.286 177.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.67 -42.46 96.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.075 -0.511 . . . . 25.0 110.444 178.478 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.27 -35.24 79.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.113 0.482 . . . . 50.0 111.051 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.37 -39.38 65.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.938 0.399 . . . . 25.0 110.059 179.493 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.08 -30.79 71.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.291 0.478 . . . . 50.0 112.291 -178.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -57.84 -39.73 78.39 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.89 -0.324 . . . . 25.0 110.848 175.075 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.8 mt -71.98 -41.74 67.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.362 0.505 . . . . 50.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.3 t -74.14 -41.91 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.127 0.489 . . . . 50.0 111.243 -174.05 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.4 m -82.32 -22.11 35.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.535 -0.302 . . . . 50.0 111.198 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.09 -141.36 47.27 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.133 -1.032 . . . . 25.0 110.994 -178.46 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.2 -11.99 61.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 115.509 1.67 . . . . 50.0 115.509 -177.324 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -74.58 -16.29 60.81 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.955 0.798 . . . . 50.0 113.137 -175.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.17 173.81 46.49 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 121.165 -0.54 . . . . 50.0 113.0 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -167.15 -179.37 4.55 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 -177.833 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -137.12 164.35 28.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.24 -1.022 . . . . 50.0 108.24 174.771 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -145.57 143.6 30.0 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 176.704 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.4 p -98.35 107.09 39.86 Favored Pre-proline 0 C--O 1.243 0.743 0 CA-C-O 120.51 0.195 . . . . 25.0 110.968 179.567 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.34 157.75 58.29 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 117.368 -1.288 . . . . 50.0 110.423 176.358 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -135.9 100.79 4.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.384 -0.599 . . . . 50.0 109.384 -175.7 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.205 -1.279 0 CA-C-O 123.618 1.675 . . . . 25.0 113.541 -178.473 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.05 0 CA-C-O 118.631 -1.094 . . . . 25.0 111.456 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -61.56 -41.13 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 118.94 1.37 . . . . 25.0 114.442 -173.815 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -67.11 -37.46 79.3 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 O-C-N 121.51 -0.744 . . . . 50.0 110.134 179.183 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -65.49 -45.32 84.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.097 0.475 . . . . 25.0 109.818 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -63.25 -40.65 98.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.635 -0.711 . . . . 50.0 110.698 -178.427 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 m -71.54 -31.83 67.48 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.743 0.275 . . . . 50.0 111.743 179.1 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -70.49 -49.96 43.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.9 0.381 . . . . 50.0 110.824 -178.867 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -87.97 -25.2 23.28 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.192 1.182 . . . . 25.0 114.192 -174.264 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.595 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 58.9 p -133.57 -177.22 4.44 Favored 'General case' 0 C--O 1.221 -0.395 0 O-C-N 121.623 -0.673 . . . . 50.0 110.174 -177.351 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.9 mm -71.62 117.54 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.874 0.845 . . . . 50.0 111.01 -167.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -88.43 96.06 10.45 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 178.429 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -73.21 167.28 21.5 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.292 -0.632 . . . . 50.0 109.292 -178.322 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.24 -29.79 69.0 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 122.224 -0.298 . . . . 50.0 110.914 178.769 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -67.91 -37.72 82.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.406 0.622 . . . . 50.0 110.933 179.402 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -66.3 -40.07 89.75 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 108.239 -1.023 . . . . 50.0 108.239 177.414 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.8 -37.04 85.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.847 0.314 . . . . 50.0 111.847 178.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.95 -31.12 70.68 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 122.014 -0.429 . . . . 50.0 111.864 177.088 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.15 -26.96 67.67 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.762 0.653 . . . . 50.0 112.762 -179.642 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -71.12 -23.05 62.02 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.049 -0.407 . . . . 50.0 110.299 179.035 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.1 m -85.37 140.01 31.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.812 0.815 . . . . 50.0 109.835 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.213 -0.848 0 CA-C-O 125.08 2.371 . . . . 50.0 111.512 175.179 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.1 t80 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.809 -0.615 . . . . 25.0 109.631 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -136.67 143.69 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 -179.245 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -62.95 128.73 37.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.238 0.458 . . . . 50.0 112.238 -179.121 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -159.87 149.1 17.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 107.397 -1.335 . . . . 50.0 107.397 175.005 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.595 ' HD1' ' C ' ' A' ' 9' ' ' SER . 65.7 m-70 -71.61 142.99 49.96 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 106.198 -1.778 . . . . 50.0 106.198 168.522 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -136.16 117.5 14.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.052 0.453 . . . . 50.0 111.008 -176.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -142.88 158.63 43.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.803 -0.814 . . . . 50.0 108.803 -178.233 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.12 -139.61 48.27 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.797 -0.716 . . . . 25.0 112.56 178.433 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.1 p -60.24 -29.81 69.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 179.568 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -63.86 -34.38 77.82 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.793 -0.567 . . . . 50.0 111.101 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.8 tp -66.57 -43.68 84.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.62 -0.511 . . . . 50.0 109.62 179.417 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.98 -42.26 91.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.711 -179.478 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -65.66 -30.53 71.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.842 -0.536 . . . . 50.0 111.359 179.495 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -33.25 65.45 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 122.064 -0.397 . . . . 25.0 110.023 178.415 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -66.33 -31.91 72.98 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.007 -0.277 . . . . 50.0 111.163 178.619 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -60.79 -36.84 80.01 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 120.887 -0.325 . . . . 25.0 110.266 174.672 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.81 -44.33 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.712 0.634 . . . . 50.0 112.712 179.897 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.3 t -79.31 -40.2 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.377 -0.374 . . . . 50.0 111.972 -172.216 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -17.27 43.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.426 -0.583 . . . . 50.0 109.426 177.227 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.31 -157.66 51.47 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 119.965 -1.112 . . . . 25.0 111.653 179.397 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.47 -6.46 25.11 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.416 1.636 . . . . 50.0 115.416 -177.146 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -72.13 -15.33 61.98 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.213 0.915 . . . . 50.0 111.419 -179.373 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.8 176.37 50.16 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 111.111 -0.796 . . . . 50.0 111.111 -178.497 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -163.03 179.29 7.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 104.312 -2.477 . . . . 25.0 104.312 -178.239 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -131.67 162.28 30.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.565 -1.272 . . . . 50.0 107.565 176.201 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -146.29 137.34 24.4 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 176.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.04 102.03 34.79 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-O 121.624 0.726 . . . . 25.0 109.446 -177.071 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -78.47 156.41 28.62 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 121.057 1.171 . . . . 50.0 112.539 -176.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.48 151.8 28.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 106.304 -1.739 . . . . 50.0 106.304 175.667 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.206 -1.202 0 CA-C-O 123.813 1.768 . . . . 25.0 113.015 -179.077 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.432 0 CA-C-O 118.866 -0.963 . . . . 25.0 111.594 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.6 tt -61.0 -31.17 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.107 0.953 . . . . 25.0 113.122 -176.056 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.82 -27.05 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.906 -0.496 . . . . 50.0 111.723 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -63.03 -33.11 74.73 Favored 'General case' 0 C--O 1.221 -0.428 0 O-C-N 122.006 -0.434 . . . . 25.0 111.229 -176.269 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -59.6 -33.45 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.275 -0.42 . . . . 50.0 111.403 -178.845 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -94.24 -23.43 17.87 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.478 -0.489 . . . . 50.0 111.656 179.348 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.84 -48.25 15.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.822 0.675 . . . . 50.0 112.822 -177.87 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -87.28 -22.82 24.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.837 0.351 . . . . 25.0 111.605 -173.612 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.537 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 78.4 p -143.86 -173.19 3.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.886 -0.783 . . . . 50.0 108.886 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -91.92 118.01 36.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.757 -0.589 . . . . 50.0 112.397 -169.839 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.8 113.14 20.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 167.197 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.7 p -73.91 169.45 17.41 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.029 -1.471 . . . . 50.0 107.029 176.591 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.99 -28.14 66.06 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 111.947 0.351 . . . . 50.0 111.947 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -68.85 -41.29 78.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.897 -0.502 . . . . 50.0 110.467 179.48 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -66.55 -40.97 89.32 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 108.377 -0.971 . . . . 50.0 108.377 175.807 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.18 -37.03 85.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.124 0.416 . . . . 50.0 112.124 -179.528 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -62.81 -31.56 72.57 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.445 -0.784 . . . . 50.0 111.758 175.008 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -26.74 68.8 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 178.066 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -70.99 -20.7 62.39 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.737 -0.602 . . . . 50.0 111.304 176.554 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 p -113.74 43.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.727 1.251 . . . . 50.0 110.435 177.379 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--O 1.216 -0.676 0 CA-C-O 124.693 2.187 . . . . 50.0 111.318 175.11 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.8 t80 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.908 -0.567 . . . . 25.0 109.782 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -136.9 143.59 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 -178.508 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -66.25 136.04 55.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.265 0.555 . . . . 50.0 110.569 -178.362 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -160.18 143.86 14.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.337 -1.727 . . . . 50.0 106.337 172.785 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.537 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.0 m-70 -70.48 146.42 50.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.306 -1.738 . . . . 50.0 106.306 167.91 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.5 mt -135.14 122.66 21.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.111 0.412 . . . . 50.0 112.111 -173.53 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -133.72 158.1 44.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.622 -0.51 . . . . 50.0 109.622 177.161 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.98 -133.43 41.08 Favored Glycine 0 C--O 1.231 -0.04 0 C-N-CA 121.2 -0.524 . . . . 25.0 113.903 174.062 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.0 p -58.43 -31.98 68.25 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -179.392 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -64.58 -36.23 83.56 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.325 0.511 . . . . 50.0 111.425 -179.673 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.0 tp -67.0 -40.97 87.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.268 0.556 . . . . 50.0 109.64 -179.886 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.9 -42.69 89.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.319 178.699 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -62.94 -36.63 84.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.431 . . . . 50.0 110.653 179.018 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.52 -38.13 77.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.275 -0.42 . . . . 25.0 110.333 -179.277 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.59 -32.59 74.11 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.883 0.327 . . . . 50.0 111.883 -178.449 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -59.28 -41.69 89.53 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.183 0.447 . . . . 25.0 110.302 175.921 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -71.98 -41.57 67.51 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.841 0.682 . . . . 50.0 112.841 -177.866 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -78.89 -41.53 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.092 0.472 . . . . 50.0 111.776 -173.408 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.44 -17.3 49.3 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.065 -0.717 . . . . 50.0 109.065 179.084 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.87 -153.51 52.96 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-O 121.826 0.681 . . . . 25.0 113.029 175.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -11.59 27.09 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.412 0.893 . . . . 50.0 113.412 -178.711 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -65.71 -24.45 66.99 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 122.192 -0.317 . . . . 50.0 110.562 177.279 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.29 -172.6 55.23 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.008 -1.637 . . . . 50.0 109.008 -175.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -161.7 178.68 8.78 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 -178.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -140.68 168.82 18.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 104.066 -2.568 . . . . 50.0 104.066 178.266 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -147.26 130.5 16.51 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.797 -1.557 . . . . 25.0 106.797 175.795 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.03 87.45 48.57 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-O 122.522 1.153 . . . . 25.0 111.49 -175.266 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -80.39 151.01 19.93 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 N-CA-C 110.696 -0.54 . . . . 50.0 110.696 178.065 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -154.34 142.37 20.25 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.201 -1.407 . . . . 50.0 107.201 177.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.207 -1.183 0 CA-C-O 123.887 1.803 . . . . 25.0 112.917 -174.931 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.036 0 CA-C-O 118.468 -1.184 . . . . 25.0 111.323 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -62.58 -38.72 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 119.215 1.508 . . . . 25.0 112.717 -176.146 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.7 p -59.76 -28.92 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-O 121.358 0.599 . . . . 50.0 111.809 178.549 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -63.89 -35.52 80.92 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.127 -0.358 . . . . 25.0 111.212 -179.343 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -62.71 -40.91 98.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 50.0 110.774 -179.543 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -82.46 -12.41 57.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.324 0.491 . . . . 50.0 112.324 -177.548 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 m -82.68 -45.04 14.97 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.667 -0.494 . . . . 50.0 109.667 174.227 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 t -82.89 -24.79 33.0 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -177.345 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.525 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 9.2 t -136.94 177.37 7.92 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.811 -0.556 . . . . 50.0 110.355 179.158 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.8 mm -70.15 -43.41 78.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 115.519 1.674 . . . . 50.0 115.519 -162.091 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.1 m 56.04 82.19 0.11 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.944 0.878 . . . . 25.0 111.259 -171.086 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -66.33 168.57 8.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.664 -1.235 . . . . 50.0 107.664 174.546 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.17 -28.77 42.58 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.503 0.927 . . . . 50.0 113.503 -177.851 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -68.74 -37.9 79.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.975 0.417 . . . . 50.0 111.011 179.234 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -73.28 -35.93 66.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.423 0.63 . . . . 50.0 109.764 176.561 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.06 -32.12 73.42 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.777 -0.647 . . . . 50.0 111.688 178.899 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.13 -13.91 14.38 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.579 0.955 . . . . 50.0 113.579 176.218 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -65.06 -27.41 68.76 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.853 -0.53 . . . . 50.0 110.921 174.39 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -82.81 -5.33 58.9 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.294 0.637 . . . . 50.0 111.952 -179.789 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.28 141.84 47.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.91 0.862 . . . . 50.0 112.098 -171.509 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 t30 . . . . . 0 C--O 1.207 -1.15 0 CA-C-O 124.529 2.109 . . . . 50.0 112.66 178.793 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 118.765 -0.636 . . . . 25.0 109.673 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.33 143.65 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -74.54 126.26 30.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.261 0.553 . . . . 50.0 111.926 179.617 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -158.98 150.04 20.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 103.826 -2.657 . . . . 50.0 103.826 170.188 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.525 ' HD1' ' C ' ' A' ' 9' ' ' SER . 74.6 m-70 -69.69 146.5 51.53 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.057 -1.46 . . . . 50.0 107.057 171.285 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 mt -132.36 120.88 22.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.694 0.627 . . . . 50.0 112.694 -171.897 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -129.36 157.04 43.03 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.497 -0.32 . . . . 50.0 110.271 176.938 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.31 -133.87 45.72 Favored Glycine 0 C--O 1.226 -0.348 0 C-N-CA 120.927 -0.654 . . . . 25.0 113.799 172.908 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.2 p -60.41 -29.87 69.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -179.351 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -62.8 -41.12 99.15 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.688 -0.633 . . . . 50.0 109.461 177.418 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -68.86 -43.29 75.71 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.858 -0.423 . . . . 50.0 109.858 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.93 -45.93 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.587 0.232 . . . . 25.0 111.361 179.605 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.25 -28.57 65.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.42 -0.8 . . . . 50.0 111.659 -179.222 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.92 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 176.19 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -65.46 -33.96 77.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.28 0.474 . . . . 50.0 112.28 -179.634 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -57.47 -40.33 78.33 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 120.797 0.332 . . . . 25.0 110.221 175.461 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.7 mt -71.84 -43.77 64.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.615 0.598 . . . . 50.0 112.615 -179.437 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.34 -43.37 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.109 0.481 . . . . 50.0 110.573 -174.257 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.6 m -84.56 -24.51 29.23 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.575 0.583 . . . . 50.0 112.575 -178.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.86 -138.05 48.97 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.085 -1.206 . . . . 25.0 110.085 -176.426 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -68.35 -6.84 26.56 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.979 1.474 . . . . 50.0 114.979 -179.337 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -70.26 -24.63 63.09 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.657 -0.652 . . . . 50.0 112.277 -178.6 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.89 167.14 36.94 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 110.794 -0.923 . . . . 50.0 110.794 -176.284 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -158.6 174.83 14.46 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -176.791 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -126.4 161.77 27.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.157 -0.683 . . . . 50.0 109.157 177.719 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -140.72 145.34 36.32 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 -178.338 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.9 p -107.18 95.5 13.24 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-O 120.535 0.207 . . . . 25.0 110.809 -178.669 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.27 155.0 41.64 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 118.066 -0.823 . . . . 50.0 113.251 -179.207 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -92.24 85.08 5.32 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.033 0.92 . . . . 50.0 109.617 176.974 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.207 -1.138 0 CA-C-O 123.559 1.647 . . . . 25.0 113.014 -179.162 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.784 0 CA-C-O 118.723 -1.043 . . . . 25.0 111.398 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.14 -33.28 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 118.915 1.357 . . . . 25.0 113.275 -171.841 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.03 -41.45 87.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 121.748 -0.595 . . . . 50.0 109.673 177.272 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.98 -39.9 96.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.984 -0.553 . . . . 25.0 109.746 178.547 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.44 -39.41 93.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.546 -0.297 . . . . 50.0 111.08 179.372 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 66.2 m -80.22 -13.26 59.37 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.155 0.428 . . . . 50.0 112.155 178.265 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.04 -45.28 14.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.925 0.393 . . . . 50.0 110.057 175.229 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 t -84.74 -22.29 29.72 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.184 0.516 . . . . 25.0 111.941 -177.393 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.518 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 65.2 m -136.81 176.36 8.78 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 121.531 -0.73 . . . . 50.0 109.684 179.265 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.4 mm -71.83 -45.56 64.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 115.564 1.69 . . . . 50.0 115.564 -163.624 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.3 m 60.99 98.65 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 122.012 0.91 . . . . 25.0 111.374 -169.374 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.7 p -67.18 167.08 12.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.18 -1.045 . . . . 50.0 108.18 176.655 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.13 -33.73 65.43 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 122.156 -0.34 . . . . 50.0 111.81 -179.359 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.87 -37.68 86.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.454 0.645 . . . . 50.0 111.829 179.04 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -68.51 -38.78 81.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.961 -0.755 . . . . 50.0 108.961 177.262 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.76 -32.13 73.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.784 -0.643 . . . . 50.0 112.647 179.506 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -55.64 -28.94 58.18 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.402 0.547 . . . . 50.0 112.35 177.675 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -59.53 -27.91 66.6 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.889 0.7 . . . . 50.0 112.889 178.787 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -64.25 -23.08 67.18 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 122.356 -0.215 . . . . 50.0 110.706 178.744 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.8 p -128.36 35.7 4.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.685 -0.857 . . . . 50.0 108.685 177.283 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 N--CA 1.481 1.089 0 C-N-CA 125.364 1.466 . . . . 50.0 113.802 -175.939 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 118.971 -0.537 . . . . 25.0 109.818 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.4 129.78 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 -177.356 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -67.65 124.92 24.6 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.299 0.571 . . . . 50.0 111.383 178.385 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -160.3 149.49 17.38 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 104.083 -2.562 . . . . 50.0 104.083 173.515 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.6 m-70 -70.51 146.73 50.03 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.374 -1.343 . . . . 50.0 107.374 170.493 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 mt -128.33 113.3 15.43 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.716 1.006 . . . . 50.0 113.716 -170.523 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.5 m -129.6 157.59 41.66 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.531 -0.544 . . . . 50.0 109.531 175.705 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.56 -135.16 45.73 Favored Glycine 0 C--O 1.229 -0.164 0 C-N-CA 121.209 -0.519 . . . . 25.0 113.927 174.12 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -30.48 68.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -179.249 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.5 -37.15 86.19 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.717 -0.614 . . . . 50.0 110.33 179.047 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.78 -45.4 78.58 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 121.22 -0.192 . . . . 50.0 111.494 -178.245 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.46 -29.02 26.28 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 C-N-CA 119.792 -0.763 . . . . 25.0 111.426 -178.839 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.04 -32.74 71.02 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.561 -0.712 . . . . 50.0 110.383 175.275 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.79 89.72 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 174.603 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.62 -33.69 76.18 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.669 0.618 . . . . 50.0 112.669 179.81 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -58.82 -43.68 90.69 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 175.377 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.94 -42.46 66.62 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.934 0.716 . . . . 50.0 112.934 -179.799 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -70.9 -47.73 60.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.781 0.289 . . . . 50.0 111.781 -174.567 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -14.33 50.83 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.051 -0.659 . . . . 50.0 109.828 -178.155 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.02 -148.01 49.95 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-O 122.246 0.914 . . . . 25.0 115.038 173.442 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -64.25 -16.2 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.712 1.004 . . . . 50.0 113.712 -176.078 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -22.55 64.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.363 0.265 . . . . 50.0 110.807 178.797 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.77 -176.11 54.79 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.218 -1.553 . . . . 50.0 109.218 -175.882 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -158.8 174.62 14.73 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.566 -2.013 . . . . 25.0 105.566 -178.645 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -126.23 158.74 34.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.39 -1.337 . . . . 50.0 107.39 175.541 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -148.43 145.33 27.95 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.709 -1.96 . . . . 25.0 105.709 -179.992 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.35 84.92 24.26 Favored Pre-proline 0 C--O 1.24 0.586 0 CA-C-O 121.742 0.782 . . . . 25.0 109.186 -177.902 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.09 159.95 33.51 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 119.817 0.345 . . . . 50.0 111.249 179.671 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -118.98 109.44 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.604 -1.258 . . . . 50.0 107.604 175.082 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 C--O 1.208 -1.112 0 CA-C-O 122.87 1.319 . . . . 25.0 111.507 -177.243 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.885 0 CA-C-O 119.071 -0.849 . . . . 25.0 111.181 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -82.84 -27.44 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -173.165 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.68 -43.15 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 121.399 -0.813 . . . . 50.0 112.551 -175.436 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -62.04 -28.59 69.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -176.27 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.7 -25.97 68.17 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.582 0.215 . . . . 50.0 111.582 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -97.06 -12.9 22.63 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.967 0.413 . . . . 50.0 111.175 176.52 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -92.23 -49.7 6.04 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.829 0.677 . . . . 50.0 112.829 -175.885 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -73.9 -19.32 60.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 25.0 112.01 -174.047 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.5 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 62.1 p -149.71 -178.08 6.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.736 -0.839 . . . . 50.0 108.736 -179.455 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.9 mm -86.13 133.82 28.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.473 -1.306 . . . . 50.0 107.473 -176.095 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -116.98 145.38 43.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.464 -1.68 . . . . 25.0 106.464 173.067 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.4 p -94.09 171.5 8.81 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.443 -0.577 . . . . 50.0 109.443 -177.271 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.96 -28.07 68.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.813 0.339 . . . . 50.0 111.474 178.255 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -67.9 -40.72 83.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.068 0.461 . . . . 50.0 109.876 -179.871 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -70.21 -39.55 75.07 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 178.572 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -60.17 -35.3 75.04 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.723 1.008 . . . . 50.0 113.723 -179.41 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.08 -28.13 62.34 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 119.031 0.832 . . . . 50.0 112.705 178.47 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -65.43 -26.9 68.17 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.115 0.413 . . . . 50.0 112.115 178.092 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -73.53 -12.73 60.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.485 -0.325 . . . . 50.0 111.728 -176.367 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -132.54 168.59 17.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 122.169 0.985 . . . . 50.0 112.368 -173.815 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--O 1.21 -1.012 0 CA-C-O 124.196 1.95 . . . . 50.0 113.557 178.356 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.4 t80 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.808 -0.615 . . . . 25.0 109.761 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.57 134.2 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -177.821 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.92 124.65 24.29 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.23 0.538 . . . . 50.0 111.513 178.094 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -160.17 147.06 16.03 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.801 -1.926 . . . . 50.0 105.801 173.841 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.5 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 71.9 m-70 -67.97 143.74 55.48 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.124 -1.065 . . . . 50.0 108.124 170.856 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 37.0 mt -128.78 105.61 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.282 0.233 . . . . 50.0 110.47 -175.117 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -117.33 -6.25 11.27 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.183 1.92 . . . . 50.0 116.183 -173.313 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.26 -126.0 1.11 Allowed Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.775 -0.726 . . . . 25.0 112.194 -176.188 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -28.83 63.14 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.218 0.509 . . . . 25.0 111.567 177.931 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -57.23 -36.93 71.51 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 112.282 0.475 . . . . 50.0 112.282 175.667 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.56 -39.91 80.84 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.426 -0.583 . . . . 50.0 109.426 -178.264 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.11 -43.28 97.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.106 0.479 . . . . 25.0 109.93 177.68 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.01 -32.73 74.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.047 0.451 . . . . 50.0 110.935 179.326 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.91 -40.44 65.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.857 -0.424 . . . . 25.0 109.857 178.864 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.0 -34.54 78.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.457 -0.338 . . . . 50.0 111.347 -179.256 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -55.12 -45.15 75.53 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.04 0.448 . . . . 25.0 109.953 175.004 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.98 -43.77 64.59 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.517 0.932 . . . . 50.0 113.517 -178.739 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.19 -44.46 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.92 0.39 . . . . 50.0 111.937 -172.376 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -18.79 37.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.925 -0.768 . . . . 50.0 108.925 179.524 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.46 -143.8 46.12 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-O 122.392 0.996 . . . . 25.0 113.907 174.078 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 -10.18 50.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.766 1.395 . . . . 50.0 114.766 -176.833 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -76.76 -8.2 56.85 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.885 0.766 . . . . 50.0 111.131 -179.836 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.79 170.71 44.76 Favored Glycine 0 C--O 1.226 -0.381 0 N-CA-C 110.324 -1.11 . . . . 50.0 110.324 -179.686 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -158.52 171.38 20.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 -177.725 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -133.15 165.96 23.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.512 -2.033 . . . . 50.0 105.512 174.577 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -145.71 138.36 25.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 179.616 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.21 113.53 63.33 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 178.141 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -83.04 160.08 15.64 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 121.208 1.272 . . . . 50.0 112.853 -176.465 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -84.52 91.38 7.85 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.267 -1.012 . . . . 50.0 108.267 177.81 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 C--O 1.207 -1.155 0 CA-C-O 123.206 1.479 . . . . 25.0 111.573 -179.606 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.912 0 CA-C-O 118.965 -0.908 . . . . 25.0 111.651 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt -63.61 -43.37 98.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 118.742 1.271 . . . . 25.0 113.412 -175.826 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -66.14 -33.01 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 O-C-N 121.698 -0.626 . . . . 50.0 110.169 179.057 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -65.0 -40.49 95.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.366 -0.379 . . . . 25.0 109.992 178.827 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -60.63 -43.37 97.6 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.682 -0.235 . . . . 50.0 110.799 -178.634 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.0 m -75.12 -27.39 59.8 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.008 0.744 . . . . 50.0 113.008 179.386 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -83.36 -51.84 7.06 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.285 0.846 . . . . 50.0 113.285 -177.22 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -81.94 -19.43 40.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 25.0 111.174 -173.999 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.485 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.0 t -145.72 -175.32 4.69 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.976 -0.453 . . . . 50.0 110.054 179.573 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -87.55 133.46 30.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 -173.729 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.6 p -120.61 137.95 54.16 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 171.993 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.8 p -86.76 175.71 8.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.528 -0.545 . . . . 50.0 109.528 -175.039 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.38 -32.09 70.97 Favored 'General case' 0 C--O 1.215 -0.728 0 C-N-CA 121.131 -0.228 . . . . 50.0 111.019 177.492 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -67.68 -38.32 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.321 0.581 . . . . 50.0 110.548 179.321 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -67.11 -39.27 86.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 177.282 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.03 -33.41 75.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.802 -0.635 . . . . 50.0 112.601 179.554 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.23 -22.41 52.03 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.849 0.685 . . . . 50.0 112.849 177.499 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -63.6 -26.87 68.88 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.422 0.527 . . . . 50.0 112.422 177.799 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -70.53 -29.57 66.08 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.271 -0.64 . . . . 50.0 109.271 178.243 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 m -89.37 49.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.151 0.977 . . . . 50.0 108.814 179.496 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.212 -0.91 0 CA-C-O 125.02 2.343 . . . . 50.0 113.62 -173.169 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.1 t80 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -138.28 143.75 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 106.222 -1.77 . . . . 25.0 106.222 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -69.96 133.59 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.708 0.766 . . . . 50.0 111.374 -178.86 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -160.36 155.37 24.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 103.555 -2.758 . . . . 50.0 103.555 172.056 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.485 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 72.0 m-70 -69.2 145.31 53.32 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.297 -1.372 . . . . 50.0 107.297 170.11 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.88 113.91 20.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.73 0.3 . . . . 50.0 111.218 -178.298 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 91.8 m -132.45 156.53 46.56 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.153 -0.684 . . . . 50.0 109.153 175.304 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.72 -129.68 41.76 Favored Glycine 0 CA--C 1.516 0.106 0 C-N-CA 121.067 -0.587 . . . . 25.0 114.095 174.121 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.3 p -59.99 -36.03 76.3 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 179.844 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -62.12 -35.09 77.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.962 -0.461 . . . . 50.0 110.98 -179.876 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.0 tp -68.86 -47.66 65.38 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.81 -0.356 . . . . 50.0 111.48 -179.378 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.54 -31.99 51.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 120.131 -0.628 . . . . 25.0 110.065 -178.155 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.36 -38.48 87.7 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.85 -0.531 . . . . 50.0 110.852 176.667 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.41 90.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.925 -0.31 . . . . 25.0 110.29 179.265 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.28 -34.65 78.15 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.192 0.442 . . . . 50.0 112.192 -179.236 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -63.34 -38.56 91.64 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 120.696 -0.402 . . . . 25.0 110.227 177.141 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -71.92 -43.99 64.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.932 0.716 . . . . 50.0 112.932 178.856 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.3 t -70.67 -45.57 73.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.146 0.498 . . . . 50.0 111.533 -173.785 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.8 m -94.62 -7.4 41.03 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.36 -0.382 . . . . 50.0 111.362 -176.62 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.15 -162.61 54.15 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-O 122.301 0.945 . . . . 25.0 114.377 172.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -68.01 -6.31 21.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.843 -0.678 . . . . 50.0 112.751 -178.815 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -68.58 -22.18 64.47 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.677 0.275 . . . . 50.0 110.318 177.569 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.14 -176.96 51.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.975 -0.631 . . . . 50.0 111.996 179.915 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -167.4 -178.98 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.491 -2.411 . . . . 25.0 104.491 -177.057 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -129.58 161.88 29.51 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.373 -1.343 . . . . 50.0 107.373 173.628 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -144.36 141.32 29.63 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 179.398 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.9 p -117.57 93.58 43.71 Favored Pre-proline 0 C--O 1.241 0.605 0 CA-C-O 121.229 0.538 . . . . 25.0 110.569 -178.613 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -71.4 169.72 20.14 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 118.049 -0.834 . . . . 50.0 111.776 179.592 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -131.33 97.34 4.23 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.583 -1.265 . . . . 50.0 107.583 178.584 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.21 -0.98 0 CA-C-O 124.604 2.145 . . . . 25.0 111.684 -176.81 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 CA-C-O 119.475 -0.625 . . . . 25.0 111.587 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt -61.8 -38.08 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.02 -34.95 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 121.695 -0.628 . . . . 50.0 110.41 -179.156 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mp0 -69.49 -40.6 76.94 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.667 -0.646 . . . . 25.0 109.742 176.677 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -56.87 -44.43 82.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.31 0.381 . . . . 50.0 110.273 -178.347 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.5 m -79.38 -30.06 42.35 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.309 -0.556 . . . . 50.0 111.813 -177.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 t -70.65 -50.59 35.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.739 0.304 . . . . 50.0 110.84 -179.274 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -88.06 -19.22 27.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -175.204 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.483 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 53.3 p -140.34 -171.17 3.14 Favored 'General case' 0 C--O 1.223 -0.318 0 O-C-N 121.649 -0.657 . . . . 50.0 110.853 -178.822 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.3 mm -97.67 108.38 21.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.839 -0.538 . . . . 50.0 110.377 -171.607 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 m -79.8 130.21 35.13 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 175.242 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.6 p -79.85 169.2 18.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.759 -1.2 . . . . 50.0 107.759 175.386 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.41 -30.46 68.47 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 111.788 0.292 . . . . 50.0 111.788 -179.856 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -67.61 -37.29 82.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.444 0.64 . . . . 50.0 111.075 -179.669 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -69.46 -38.41 77.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.835 -0.802 . . . . 50.0 108.835 177.299 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.37 -33.88 76.88 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.701 0.63 . . . . 50.0 112.701 179.092 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.8 -21.0 25.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.513 0.931 . . . . 50.0 113.513 178.591 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -66.65 -26.93 67.29 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.746 -0.597 . . . . 50.0 112.368 177.104 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -81.2 -6.05 58.42 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.936 0.398 . . . . 50.0 111.813 178.781 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.76 157.54 37.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.778 0.799 . . . . 50.0 112.578 -170.727 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.7 t30 . . . . . 0 C--O 1.214 -0.808 0 CA-C-O 124.693 2.187 . . . . 50.0 111.568 178.934 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.951 -0.547 . . . . 25.0 109.533 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 81.7 t -131.02 133.08 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 -179.465 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -67.56 125.93 27.74 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.467 0.651 . . . . 50.0 110.141 177.804 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -160.31 143.77 13.78 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 105.955 -1.868 . . . . 50.0 105.955 176.262 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.483 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.6 m-70 -69.45 144.95 53.13 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.389 -1.337 . . . . 50.0 107.389 170.856 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.5 mt -129.46 105.42 8.09 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.942 -0.392 . . . . 50.0 109.942 -173.738 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.1 -57.51 1.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.003 0.742 . . . . 50.0 113.003 -176.049 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.15 -138.32 4.91 Favored Glycine 0 C--O 1.227 -0.32 0 N-CA-C 111.761 -0.536 . . . . 25.0 111.761 178.529 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -25.13 13.94 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 179.183 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -56.91 -36.49 70.22 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.449 0.537 . . . . 50.0 112.449 175.693 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 tp -65.31 -42.23 93.25 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.65 -0.5 . . . . 50.0 109.65 -179.177 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.53 -43.17 96.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.231 178.58 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.13 -35.64 80.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.1 0.476 . . . . 50.0 111.023 -179.613 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.98 -38.96 69.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.356 -0.384 . . . . 25.0 110.166 179.915 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 mt -66.43 -28.12 68.36 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.774 0.657 . . . . 50.0 112.774 -177.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -60.71 -36.37 78.64 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.662 -0.415 . . . . 25.0 110.632 174.753 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.03 -43.42 65.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.107 0.479 . . . . 50.0 111.785 178.898 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.92 -42.33 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.896 -0.593 . . . . 50.0 110.999 -173.497 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.2 m -90.49 -13.03 35.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.738 0.644 . . . . 50.0 112.738 -178.58 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.1 -136.26 34.59 Favored Glycine 0 CA--C 1.52 0.362 0 CA-C-O 122.402 1.001 . . . . 25.0 113.128 179.185 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -72.46 -10.52 59.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.152 1.168 . . . . 50.0 114.152 -178.542 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.89 -19.32 54.95 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.955 -0.466 . . . . 50.0 111.059 -176.851 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.84 173.93 44.12 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 121.943 0.746 . . . . 50.0 113.674 178.611 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -159.96 176.97 11.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.079 -2.193 . . . . 25.0 105.079 -177.955 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -133.67 165.77 24.15 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.356 -0.979 . . . . 50.0 108.356 179.179 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -140.57 131.25 25.67 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.817 -1.549 . . . . 25.0 106.817 175.36 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 45.2 p -88.81 111.46 44.54 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 116.645 -0.252 . . . . 25.0 110.506 -179.5 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.35 173.49 13.68 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 117.729 -1.048 . . . . 50.0 110.979 176.909 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 147.38 27.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.21 -1.774 . . . . 50.0 106.21 179.032 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 38.3 p . . . . . 0 C--O 1.206 -1.203 0 CA-C-O 122.823 1.297 . . . . 25.0 111.235 -177.26 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.984 0 CA-C-O 118.559 -1.134 . . . . 25.0 111.234 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.0 tt -61.81 -41.49 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 119.447 1.624 . . . . 25.0 113.133 -171.077 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t -73.63 -40.69 54.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.735 0.779 . . . . 50.0 109.344 178.3 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -58.21 -40.52 81.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.142 -0.935 . . . . 25.0 111.387 -178.427 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -39.58 89.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.757 -0.201 . . . . 50.0 111.37 179.808 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -27.01 54.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.319 0.58 . . . . 50.0 111.498 179.409 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.2 m -70.65 -42.48 70.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.35 -0.386 . . . . 50.0 110.655 176.702 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -87.94 -23.49 23.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.952 1.093 . . . . 25.0 113.952 -176.226 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.425 ' C ' ' HD1' ' B' ' 5' ' ' HIS . 48.8 m -137.01 158.68 43.91 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 121.26 -0.9 . . . . 50.0 111.357 -178.136 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp -78.48 118.94 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 122.008 -0.433 . . . . 50.0 110.16 -173.848 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.9 m -83.23 128.06 34.17 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 171.132 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.6 p -76.32 169.3 18.48 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.487 -2.042 . . . . 50.0 105.487 173.213 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.11 -30.48 68.14 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 122.062 -0.399 . . . . 50.0 111.302 179.381 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -68.89 -38.99 80.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.089 0.471 . . . . 50.0 111.156 179.395 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.94 -37.3 75.84 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.149 -0.686 . . . . 50.0 109.149 177.872 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.73 -31.98 73.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.736 -0.665 . . . . 50.0 112.335 177.43 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.36 -24.07 58.76 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 112.777 0.658 . . . . 50.0 112.777 177.526 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -63.16 -28.42 70.04 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.593 -0.692 . . . . 50.0 111.607 176.221 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -89.07 -3.65 58.6 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.193 0.597 . . . . 50.0 110.387 -178.869 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 125.95 46.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.643 1.211 . . . . 50.0 113.089 -164.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 C--O 1.214 -0.802 0 CA-C-O 122.864 1.316 . . . . 50.0 110.02 179.018 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.9 t80 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.999 -0.524 . . . . 25.0 109.693 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -138.5 143.68 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 -179.313 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -64.48 126.62 28.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.583 0.706 . . . . 50.0 112.286 -178.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -160.17 148.74 17.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 104.578 -2.378 . . . . 50.0 104.578 172.526 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.425 ' HD1' ' C ' ' A' ' 9' ' ' SER . 69.7 m-70 -70.95 146.22 49.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.941 -1.133 . . . . 50.0 107.941 172.69 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 108.33 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.25 0.548 . . . . 50.0 111.967 -174.59 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -141.09 154.46 45.94 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.418 -0.956 . . . . 50.0 108.418 178.118 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.73 -143.69 48.71 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.499 -0.858 . . . . 25.0 111.392 -179.613 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -27.84 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 179.436 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -61.16 -32.0 71.73 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.868 -0.52 . . . . 50.0 111.211 179.203 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.19 -47.98 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.002 -0.279 . . . . 50.0 111.409 -179.743 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 m -71.43 -30.7 40.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.012 -0.675 . . . . 25.0 110.685 -178.168 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.54 -40.2 95.16 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.94 -0.475 . . . . 50.0 110.243 176.662 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.02 85.98 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 178.126 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -66.06 -30.59 71.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.023 0.749 . . . . 50.0 113.023 -178.626 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -61.42 -36.45 80.37 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.847 -0.341 . . . . 25.0 110.188 174.903 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.84 -40.9 68.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.166 0.432 . . . . 50.0 112.166 178.939 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -74.59 -42.51 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.01 0.433 . . . . 50.0 111.534 -174.238 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -15.41 37.52 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.177 -0.609 . . . . 50.0 111.388 -179.657 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.74 -152.25 52.49 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.295 -0.955 . . . . 25.0 111.226 -178.549 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -66.59 -7.34 19.56 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.945 1.091 . . . . 50.0 113.945 -178.289 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -66.03 -26.26 67.44 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.022 0.749 . . . . 50.0 113.022 -179.412 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.06 -179.97 51.88 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 108.176 -1.97 . . . . 50.0 108.176 -172.903 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -161.77 -175.83 4.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.7 -1.592 . . . . 25.0 106.7 -175.974 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -126.7 168.71 14.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.147 0.499 . . . . 50.0 109.948 -178.749 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -140.24 146.38 38.57 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 178.26 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.42 99.94 52.1 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 -178.915 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.16 174.78 9.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.127 1.885 . . . . 50.0 111.693 179.846 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -82.38 84.88 7.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.773 -0.825 . . . . 50.0 108.773 176.876 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.5 p . . . . . 0 C--O 1.211 -0.951 0 CA-C-O 124.7 2.19 . . . . 25.0 112.13 -178.901 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 CA-C-O 119.344 -0.698 . . . . 25.0 111.559 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.8 tt -63.68 -30.48 49.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 117.773 0.787 . . . . 25.0 112.18 -175.818 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.87 -42.39 94.72 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 O-C-N 121.712 -0.617 . . . . 50.0 109.959 179.119 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -64.82 -41.44 95.77 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 178.488 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -56.87 -40.04 75.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.505 -0.316 . . . . 50.0 111.472 -179.178 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.74 -10.44 42.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.265 0.839 . . . . 50.0 113.265 -178.782 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.4 t -91.97 -44.11 9.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.568 0.223 . . . . 50.0 110.856 178.502 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -87.81 -21.64 24.95 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.92 -0.488 . . . . 25.0 110.756 -179.534 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.516 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 50.8 m -130.75 -178.72 4.92 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 108.512 -0.922 . . . . 50.0 108.512 175.833 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -77.51 -50.72 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 115.722 1.749 . . . . 50.0 115.722 -164.457 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.8 m 63.09 111.99 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 122.181 0.991 . . . . 25.0 112.191 -167.817 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.1 p -71.69 165.38 24.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.432 -1.321 . . . . 50.0 107.432 175.402 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -56.65 -27.98 59.65 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.369 0.507 . . . . 50.0 112.369 -179.082 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -68.55 -37.46 79.95 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.21 0.529 . . . . 50.0 111.096 179.165 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -70.97 -34.16 71.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.417 0.627 . . . . 50.0 109.501 177.206 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.92 -32.18 72.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.464 -0.789 . . . . 50.0 112.184 178.391 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.35 -28.04 40.21 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.38 0.536 . . . . 50.0 112.221 178.244 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -59.34 -27.02 65.54 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.564 0.949 . . . . 50.0 113.564 178.681 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -72.49 -14.01 61.56 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 122.112 -0.368 . . . . 50.0 111.909 -179.373 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.5 m -82.64 151.87 26.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 -178.41 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t30 . . . . . 0 C--O 1.213 -0.825 0 CA-C-O 124.553 2.121 . . . . 50.0 112.139 -178.745 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.3 t80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.808 -0.615 . . . . 25.0 109.647 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t -125.79 133.23 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -178.807 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -71.13 128.78 37.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.296 0.569 . . . . 50.0 111.49 178.665 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -159.52 149.27 18.55 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 104.018 -2.586 . . . . 50.0 104.018 172.657 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.516 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.7 m-70 -70.42 144.87 51.38 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.392 -1.336 . . . . 50.0 107.392 170.882 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.9 mt -125.38 105.35 9.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.226 0.536 . . . . 50.0 112.403 -173.033 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 m -122.73 151.52 41.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.558 -0.534 . . . . 50.0 109.558 179.111 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.71 -133.65 47.35 Favored Glycine 0 C--O 1.228 -0.268 0 C-N-CA 120.939 -0.648 . . . . 25.0 113.275 176.019 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -29.24 67.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.158 1.17 . . . . 25.0 114.158 -179.121 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -36.41 83.11 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.75 -0.594 . . . . 50.0 110.563 179.502 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.6 tp -66.04 -42.7 89.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.631 -0.507 . . . . 50.0 109.631 179.286 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.15 -43.08 97.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.066 0.46 . . . . 25.0 110.59 178.771 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.65 -34.93 78.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.891 0.377 . . . . 50.0 110.882 -179.679 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.83 -38.3 73.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.948 -0.389 . . . . 25.0 109.948 -178.917 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.84 -27.98 69.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.393 0.886 . . . . 50.0 113.393 -176.675 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -60.47 -42.47 96.3 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.895 -0.409 . . . . 25.0 109.895 174.313 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -71.88 -39.23 69.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.968 0.413 . . . . 50.0 111.783 179.104 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.96 -48.11 85.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 50.0 111.338 -174.647 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.33 -12.01 26.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.091 -0.644 . . . . 50.0 112.71 -177.049 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.65 -145.58 49.93 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.323 -0.941 . . . . 25.0 111.968 178.656 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -66.25 -9.58 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.881 1.067 . . . . 50.0 113.881 -178.038 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -69.06 -25.46 64.47 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 122.114 -0.366 . . . . 50.0 110.95 178.155 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.88 179.34 51.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.891 -0.671 . . . . 50.0 112.111 -177.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -162.98 179.41 7.58 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 104.505 -2.405 . . . . 25.0 104.505 -177.511 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -133.9 160.36 37.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.43 -1.322 . . . . 50.0 107.43 174.419 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -152.23 148.42 27.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 179.335 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.89 90.78 44.4 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-O 122.134 0.968 . . . . 25.0 109.104 -179.886 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.14 152.12 24.0 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 120.35 0.7 . . . . 50.0 112.059 -178.975 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 85.0 7.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.895 0.855 . . . . 50.0 109.718 178.282 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.207 -1.171 0 CA-C-O 123.641 1.686 . . . . 25.0 113.185 -178.876 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 CA-C-O 118.339 -1.256 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 tt -128.65 -36.34 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 118.269 1.034 . . . . 25.0 113.458 178.855 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.07 -44.94 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.396 -0.815 . . . . 50.0 111.211 -177.098 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -59.92 -41.02 90.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 179.774 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -64.12 -39.26 93.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.903 -0.59 . . . . 50.0 111.647 -177.141 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.3 m -83.44 -12.23 56.63 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.95 0.352 . . . . 50.0 111.95 178.757 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -87.66 -47.58 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.861 0.362 . . . . 50.0 110.589 177.148 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -79.93 -22.51 42.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.05 -0.406 . . . . 25.0 111.051 -178.536 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.522 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.6 t -135.05 -173.3 3.28 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 109.434 -0.58 . . . . 50.0 109.434 178.876 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.3 mm -84.61 -35.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 113.684 0.994 . . . . 50.0 113.684 -166.171 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 m 61.56 -164.94 0.23 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -169.731 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.9 p -155.22 170.61 21.46 Favored 'General case' 0 CA--C 1.509 -0.596 0 N-CA-C 105.287 -2.116 . . . . 50.0 105.287 179.464 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -59.34 -33.44 71.15 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 118.088 0.403 . . . . 50.0 111.248 -179.712 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -66.6 -37.66 85.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.471 0.653 . . . . 50.0 111.48 179.958 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.41 -38.14 77.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.994 -0.743 . . . . 50.0 108.994 177.356 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.89 -32.14 73.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.632 -0.713 . . . . 50.0 112.664 178.985 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -55.36 -27.84 49.97 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.694 0.628 . . . . 50.0 112.694 177.817 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -61.19 -28.26 69.01 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.891 0.7 . . . . 50.0 112.891 179.114 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -68.56 -19.75 64.5 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.23 -0.294 . . . . 50.0 110.636 -179.938 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.5 p -131.61 41.84 3.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.288 1.042 . . . . 50.0 108.998 178.348 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.7 t30 . . . . . 0 C--O 1.214 -0.782 0 CA-C-O 124.718 2.199 . . . . 50.0 111.979 179.427 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.918 -0.563 . . . . 25.0 109.605 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -138.51 142.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 178.444 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -66.48 128.26 35.51 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.751 0.31 . . . . 50.0 111.592 -176.495 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -160.12 146.79 15.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.448 -2.056 . . . . 50.0 105.448 175.947 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 71.8 m-70 -71.81 145.12 48.87 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.864 -0.791 . . . . 50.0 108.864 172.189 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 49.2 mt -128.77 105.53 8.31 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.163 0.431 . . . . 50.0 112.163 -173.531 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.4 m -115.56 -62.97 1.52 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.431 0.9 . . . . 50.0 113.431 -179.016 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.96 -131.2 3.99 Favored Glycine 0 C--O 1.225 -0.41 0 CA-C-N 116.145 -0.48 . . . . 25.0 112.849 -177.591 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -25.63 30.12 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 179.189 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -56.69 -39.3 73.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.164 -0.335 . . . . 50.0 111.667 175.881 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.86 -40.79 88.0 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.951 -0.388 . . . . 50.0 109.951 -179.113 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.54 -43.23 98.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.316 178.804 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -66.24 -31.37 72.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.985 -0.447 . . . . 50.0 111.513 179.445 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.39 72.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 177.891 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.49 -32.43 74.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.21 0.448 . . . . 50.0 112.21 -179.881 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -58.1 -39.35 78.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.876 0.37 . . . . 25.0 110.663 175.585 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.79 -44.35 64.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.733 0.642 . . . . 50.0 112.733 179.499 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.55 -43.82 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.118 0.485 . . . . 50.0 111.716 -172.533 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.0 m -84.81 -12.8 52.86 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.943 -0.392 . . . . 50.0 109.943 -178.832 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 51.96 -137.96 31.36 Favored Glycine 0 C--O 1.228 -0.267 0 CA-C-O 122.542 1.079 . . . . 25.0 115.186 174.313 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -70.28 -11.9 61.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.454 0.909 . . . . 50.0 113.454 -176.806 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.09 -19.77 50.4 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.247 -0.283 . . . . 50.0 110.358 -176.705 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.75 176.89 50.96 Favored Glycine 0 C--O 1.229 -0.183 0 C-N-CA 120.97 -0.633 . . . . 50.0 111.973 -179.944 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -163.41 177.73 8.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 -177.555 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -135.82 165.94 24.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.503 -1.666 . . . . 50.0 106.503 174.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -148.68 152.29 36.4 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 178.538 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -117.94 84.88 21.96 Favored Pre-proline 0 C--O 1.244 0.794 0 CA-C-O 122.149 0.976 . . . . 25.0 109.518 179.018 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -76.44 164.6 30.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 120.522 0.815 . . . . 50.0 110.08 177.807 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -134.81 126.07 28.14 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 106.375 -1.713 . . . . 50.0 106.375 179.756 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 122.885 1.326 . . . . 25.0 110.346 -173.21 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.091 0 CA-C-O 119.287 -0.73 . . . . 25.0 111.417 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.9 tt -56.86 -41.16 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 -170.371 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.92 -34.85 72.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 O-C-N 121.83 -0.544 . . . . 50.0 111.14 179.365 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.66 -42.62 77.68 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 178.438 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -63.03 -28.31 70.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.075 -0.511 . . . . 50.0 111.757 -178.323 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.8 m -85.95 -29.44 23.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.51 0.559 . . . . 50.0 112.51 173.711 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -51.06 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.265 1.209 . . . . 50.0 114.265 -175.071 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -88.01 -19.27 27.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.463 0.649 . . . . 25.0 110.367 -174.348 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.479 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.5 p -140.63 -177.23 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.046 -0.724 . . . . 50.0 109.046 -179.515 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 mm -92.76 129.94 42.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.558 -1.275 . . . . 50.0 107.558 -175.976 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.0 p -110.02 139.06 45.56 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.745 -1.946 . . . . 25.0 105.745 172.201 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -79.84 170.87 15.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.549 -0.537 . . . . 50.0 109.549 -176.022 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.79 -29.43 68.2 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 116.842 -0.163 . . . . 50.0 111.27 178.555 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -67.77 -36.82 81.17 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 121.344 0.592 . . . . 50.0 110.867 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -69.47 -38.98 77.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.919 -0.771 . . . . 50.0 108.919 177.002 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.1 -33.57 74.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 50.0 112.274 178.053 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -55.91 -24.51 38.03 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.486 0.921 . . . . 50.0 113.486 178.709 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -64.04 -27.04 68.84 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.687 0.625 . . . . 50.0 112.687 178.186 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -77.1 -12.86 60.0 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.25 0.463 . . . . 50.0 112.25 179.229 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.26 154.06 41.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.705 1.24 . . . . 50.0 112.31 -172.378 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t30 . . . . . 0 C--O 1.216 -0.698 0 CA-C-O 123.788 1.756 . . . . 50.0 110.586 175.276 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.843 -0.598 . . . . 25.0 109.661 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.7 136.07 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 179.51 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -78.49 127.52 32.28 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.182 0.515 . . . . 50.0 111.206 -176.002 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -159.76 150.6 19.28 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 104.202 -2.518 . . . . 50.0 104.202 173.001 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.479 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.3 m-70 -72.01 145.96 47.99 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.528 -1.286 . . . . 50.0 107.528 170.734 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.54 113.77 19.75 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.721 0.408 . . . . 50.0 111.395 -177.039 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 99.7 m -132.48 152.5 51.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.449 -0.574 . . . . 50.0 109.449 175.409 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.63 -131.28 43.26 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.984 175.437 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.4 t -59.39 -32.49 70.19 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -33.99 76.27 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.326 -0.859 . . . . 50.0 111.225 179.347 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.2 tp -67.8 -42.95 80.8 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 109.354 -0.61 . . . . 50.0 109.354 178.01 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.32 -42.79 97.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.592 178.295 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.59 -36.4 83.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.884 0.373 . . . . 50.0 110.836 -179.484 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.03 -39.05 72.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.239 0.542 . . . . 25.0 109.806 -179.966 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.73 -29.39 69.36 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.261 0.838 . . . . 50.0 113.261 -177.597 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -58.65 -40.07 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.119 174.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.89 -45.57 60.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.91 0.707 . . . . 50.0 112.91 179.582 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -72.7 -43.53 61.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.131 0.491 . . . . 50.0 111.161 -173.225 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m -85.1 -16.11 41.68 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.223 -0.298 . . . . 50.0 111.27 -178.417 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.89 -134.02 22.44 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-O 122.188 0.882 . . . . 25.0 114.182 177.802 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -69.6 -15.07 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 114.287 1.217 . . . . 50.0 114.287 -177.325 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.41 -23.14 60.11 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.916 0.389 . . . . 50.0 110.118 -178.039 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.99 174.92 47.69 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.598 -0.601 . . . . 50.0 111.598 -179.577 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -160.79 176.14 11.81 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 -177.827 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -137.04 163.17 31.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.539 -1.652 . . . . 50.0 106.539 178.119 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -147.01 143.73 28.63 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 177.747 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.81 105.06 51.83 Favored Pre-proline 0 C--O 1.247 0.934 0 N-CA-C 107.524 -1.288 . . . . 25.0 107.524 179.421 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -77.79 156.7 31.31 Favored 'Trans proline' 0 CA--C 1.519 -0.256 0 C-N-CA 121.841 1.694 . . . . 50.0 111.325 -176.893 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -140.1 100.16 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.085 -0.709 . . . . 50.0 109.085 -175.621 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.212 -0.917 0 CA-C-O 125.357 2.503 . . . . 25.0 112.035 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--O 1.223 -0.338 0 CA-C-O 120.834 0.35 . . . . 25.0 110.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -62.58 -41.36 98.89 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.914 -0.491 . . . . 25.0 111.39 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.37 -40.89 83.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.834 0.35 . . . . 25.0 110.338 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -79.77 -30.63 40.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.1 m -73.91 -47.88 34.74 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.685 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 t -88.16 -17.53 30.73 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.4 t -143.27 -168.67 2.86 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mt -107.18 105.49 18.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.537 0.684 . . . . 25.0 111.096 -169.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 m -74.08 122.4 22.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.0 p -75.75 169.87 17.28 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.573 -1.64 . . . . 25.0 106.573 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.92 -27.9 65.71 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 122.268 -0.27 . . . . 25.0 111.447 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -67.69 -38.87 84.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.904 0.383 . . . . 25.0 110.897 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -70.3 -39.15 75.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.498 -0.773 . . . . 25.0 112.879 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -52.19 -30.98 29.61 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -60.82 -26.89 67.65 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.802 1.038 . . . . 25.0 113.802 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -71.67 -4.85 29.66 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.989 0.366 . . . . 25.0 111.989 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -143.39 -178.33 5.82 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.735 0.779 . . . . 25.0 110.409 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--O 1.212 -0.917 0 CA-C-O 122.852 1.311 . . . . 25.0 111.961 178.732 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.2 t -113.09 130.91 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 107.335 -1.358 . . . . 25.0 107.335 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -73.94 135.55 43.25 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.661 0.744 . . . . 25.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -160.32 148.86 16.85 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 105.096 -2.187 . . . . 25.0 105.096 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 81.9 m-70 -66.96 141.47 57.6 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.691 -1.966 . . . . 25.0 105.691 167.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.8 mt -126.76 105.41 8.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.205 0.526 . . . . 25.0 111.899 -172.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.75 157.18 46.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.68 -141.09 47.48 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.627 -0.797 . . . . 25.0 112.282 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -59.91 -28.86 67.95 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -61.55 -40.44 94.7 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.757 -0.589 . . . . 25.0 110.285 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.63 -43.5 89.33 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.08 -46.39 96.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.893 0.377 . . . . 25.0 111.195 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -69.36 -28.65 66.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.666 -0.646 . . . . 25.0 112.147 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.06 74.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.45 -32.79 74.6 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -56.97 -42.03 79.41 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.982 0.42 . . . . 25.0 110.028 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.8 -44.04 64.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.5 t -73.07 -40.9 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 25.0 110.89 -173.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.5 m -83.44 -22.3 32.67 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.649 -0.42 . . . . 25.0 111.126 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.28 -143.01 48.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.461 -0.876 . . . . 25.0 112.753 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.01 -9.27 37.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.338 1.236 . . . . 25.0 114.338 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -70.62 -22.59 62.51 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.998 -0.439 . . . . 25.0 111.192 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.81 178.88 47.27 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 109.501 -1.44 . . . . 25.0 109.501 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -160.55 176.25 11.8 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -134.0 168.1 19.41 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.7 t80 . . . . . 0 C--N 1.322 -0.626 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 178.894 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--O 1.219 -0.549 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -58.54 -42.59 88.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.641 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -64.02 -39.99 95.33 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 121.015 -0.274 . . . . 25.0 111.461 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.0 m -73.28 -31.85 64.31 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.141 -0.623 . . . . 25.0 111.471 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.3 m -71.72 -45.21 62.5 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.979 -0.288 . . . . 25.0 111.406 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 t -88.03 -21.71 24.62 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.6 t -140.18 -172.58 3.45 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.049 -0.407 . . . . 25.0 110.39 -175.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mm -94.82 111.12 24.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 121.653 -0.654 . . . . 25.0 111.295 -170.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 m -90.0 111.82 23.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -74.37 170.63 15.25 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.792 -1.188 . . . . 25.0 107.792 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.68 -30.23 65.3 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -68.88 -38.92 80.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.255 0.55 . . . . 25.0 111.061 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -68.41 -37.8 80.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.13 -34.37 78.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.56 -0.745 . . . . 25.0 112.421 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.11 -23.52 55.21 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.1 -27.0 68.62 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 122.037 -0.415 . . . . 25.0 112.038 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -74.4 -19.09 60.55 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.063 -0.398 . . . . 25.0 110.728 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.3 m -83.47 73.93 10.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.507 0.67 . . . . 25.0 109.347 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 . . . . . 0 N--CA 1.481 1.096 0 C-N-CA 125.769 1.628 . . . . 25.0 114.81 179.49 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.1 t80 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.933 -0.556 . . . . 25.0 109.707 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 68.4 t -124.31 127.59 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 107.056 -1.461 . . . . 25.0 107.056 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -69.13 130.25 42.17 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.7 151.66 20.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.894 -2.261 . . . . 25.0 104.894 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 63.1 m-70 -69.13 144.75 53.79 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 106.645 -1.613 . . . . 25.0 106.645 170.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -127.11 105.82 8.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.078 0.466 . . . . 25.0 110.832 -173.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -138.02 160.0 40.54 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.53 -139.25 48.36 Favored Glycine 0 CA--C 1.516 0.111 0 C-N-CA 120.737 -0.744 . . . . 25.0 111.655 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -30.49 68.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -62.83 -33.3 74.95 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.839 -0.538 . . . . 25.0 111.216 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.98 -48.03 72.6 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.72 -0.392 . . . . 25.0 110.802 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.13 -29.42 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.174 -0.61 . . . . 25.0 111.169 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -64.07 -39.93 95.16 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.22 82.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.083 -0.34 . . . . 25.0 110.083 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.91 -31.41 72.63 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -61.01 -37.66 83.33 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.173 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.85 -43.3 65.73 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.6 t -73.09 -42.67 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 121.116 0.484 . . . . 25.0 111.505 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.71 -20.9 35.17 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.175 -0.61 . . . . 25.0 110.51 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.72 -156.71 52.47 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.483 -0.865 . . . . 25.0 111.849 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.58 -6.35 10.75 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -69.46 -23.93 63.73 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.972 -0.455 . . . . 25.0 110.41 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.19 172.53 44.7 Favored Glycine 0 C--O 1.225 -0.457 0 N-CA-C 111.599 -0.601 . . . . 25.0 111.599 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -158.27 175.87 13.19 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.281 -2.489 . . . . 25.0 104.281 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -131.41 162.68 29.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.3 t80 . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 105.95 -1.87 . . . . 25.0 105.95 177.445 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.221 -0.424 0 N-CA-C 111.637 0.236 . . . . 25.0 111.637 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -65.23 -40.78 94.51 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 121.368 -0.832 . . . . 25.0 111.061 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.36 -41.29 93.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.175 0.512 . . . . 25.0 110.067 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 m -75.29 -29.58 60.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -72.67 -50.13 26.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.874 0.369 . . . . 25.0 110.584 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -87.98 -24.15 23.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -132.89 179.07 6.4 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 122.087 -0.383 . . . . 25.0 110.906 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -70.04 117.45 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.778 0.799 . . . . 25.0 111.396 -167.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 t -92.42 83.23 4.95 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.6 p -71.41 168.82 16.64 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -58.13 -29.58 65.65 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 122.188 -0.32 . . . . 25.0 111.776 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.52 -38.2 77.44 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 121.36 0.6 . . . . 25.0 110.942 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.34 -39.37 81.92 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 109.017 -0.735 . . . . 25.0 109.017 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.55 -36.86 85.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.945 -0.57 . . . . 25.0 111.673 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.25 -26.37 66.4 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -67.42 -26.97 66.68 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -76.48 -15.99 59.77 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.419 0.628 . . . . 25.0 109.78 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.83 114.5 21.68 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -175.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 115.057 1.503 . . . . 25.0 115.057 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 81.9 t80 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 119.199 -0.429 . . . . 25.0 109.944 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.8 t -116.67 118.15 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -66.17 135.45 54.55 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 120.97 0.414 . . . . 25.0 110.495 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -160.3 159.09 30.88 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 104.608 -2.367 . . . . 25.0 104.608 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -68.39 140.79 55.85 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 168.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -133.27 119.45 19.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.969 0.414 . . . . 25.0 110.23 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -142.53 156.68 45.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.81 -143.11 48.39 Favored Glycine 0 CA--C 1.516 0.104 0 C-N-CA 120.655 -0.783 . . . . 25.0 111.884 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -28.13 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.404 0.891 . . . . 25.0 113.404 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -36.27 78.09 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.192 -0.317 . . . . 25.0 110.871 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.5 tp -66.21 -44.17 84.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.678 -0.489 . . . . 25.0 109.678 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.74 -42.15 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.859 -0.61 . . . . 25.0 110.709 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -63.35 -34.27 77.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.98 0.419 . . . . 25.0 111.136 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.8 61.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.532 -0.304 . . . . 25.0 110.653 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 mt -65.27 -31.11 72.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.743 0.275 . . . . 25.0 111.743 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -61.62 -35.33 77.58 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.741 -0.384 . . . . 25.0 110.567 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -71.87 -42.57 66.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.141 0.496 . . . . 25.0 112.275 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -78.51 -41.53 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 25.0 111.254 -172.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.2 m -80.57 -20.22 43.85 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.767 -0.373 . . . . 25.0 110.394 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.48 -144.85 47.5 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.138 -1.029 . . . . 25.0 111.06 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -64.68 -18.3 64.86 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.715 1.376 . . . . 25.0 114.715 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -70.53 -17.59 62.94 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.239 0.829 . . . . 25.0 113.239 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.59 178.96 50.72 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.97 -0.633 . . . . 25.0 113.153 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -163.56 179.1 7.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -136.63 168.56 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.416 -1.327 . . . . 25.0 107.416 173.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.0 t80 . . . . . 0 C--N 1.322 -0.621 0 N-CA-C 105.189 -2.152 . . . . 25.0 105.189 177.76 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--O 1.216 -0.672 0 CA-C-O 121.281 0.562 . . . . 25.0 109.894 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -61.81 -43.66 98.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.044 -0.526 . . . . 25.0 109.782 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -67.42 -38.14 84.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.293 -0.412 . . . . 25.0 110.724 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.1 m -73.04 -22.11 60.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.856 0.688 . . . . 25.0 112.856 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.32 -46.17 12.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.147 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -82.26 -23.58 35.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.442 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.2 t -137.7 -178.41 5.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.871 -0.518 . . . . 25.0 109.864 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -75.44 120.96 26.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.731 0.777 . . . . 25.0 111.073 -168.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HB3' HD12 ' B' ' 6' ' ' LEU . 6.7 t -87.74 77.46 8.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.318 -0.856 . . . . 25.0 109.272 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.8 m -64.3 159.69 20.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.885 -0.598 . . . . 25.0 109.817 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -53.42 -29.04 33.07 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.03 -38.0 89.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.364 0.602 . . . . 25.0 111.564 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -74.53 -38.9 62.65 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.7 mt -59.9 -36.88 77.9 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.828 -0.624 . . . . 25.0 111.994 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -56.92 -31.85 65.35 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.54 -26.94 67.37 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.015 0.746 . . . . 25.0 113.015 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -69.4 -21.87 63.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.232 0.539 . . . . 25.0 110.24 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 m -88.06 133.02 34.07 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 t30 . . . . . 0 N--CA 1.482 1.156 0 C-N-CA 125.287 1.435 . . . . 25.0 114.377 -176.169 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.3 t -123.56 133.49 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 106.623 -1.621 . . . . 25.0 106.623 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -74.46 132.58 42.04 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.886 -0.726 . . . . 25.0 110.637 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -160.23 147.91 16.43 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.937 -1.875 . . . . 25.0 105.937 170.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.0 m-70 -68.91 145.17 53.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 168.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 11' ' ' CYS . 89.6 mt -133.22 125.47 29.45 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -136.75 160.3 39.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.995 -0.743 . . . . 25.0 108.995 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.82 -134.44 43.56 Favored Glycine 0 C--O 1.227 -0.284 0 N-CA-C 114.606 0.602 . . . . 25.0 114.606 172.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -60.47 -31.91 70.9 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -63.9 -36.97 85.7 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.868 -0.52 . . . . 25.0 110.652 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.27 -42.5 83.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.8 -41.64 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.13 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -63.06 -33.01 74.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.003 0.43 . . . . 25.0 111.018 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.34 -34.09 63.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.737 0.303 . . . . 25.0 110.97 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.7 mt -64.71 -33.31 75.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.67 0.248 . . . . 25.0 111.67 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -57.65 -39.97 78.23 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 120.856 0.36 . . . . 25.0 110.481 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.02 -45.13 62.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -72.18 -42.94 66.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.055 -0.521 . . . . 25.0 111.493 -171.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.9 m -95.2 -11.42 28.1 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.132 -0.627 . . . . 25.0 111.478 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.84 -147.1 44.15 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.413 -0.899 . . . . 25.0 113.968 174.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -67.38 -6.47 19.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -72.97 -19.42 61.23 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 122.23 -0.294 . . . . 25.0 110.32 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.74 174.08 50.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.66 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -165.53 176.89 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.404 -2.073 . . . . 25.0 105.404 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -134.49 167.58 20.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.252 -1.018 . . . . 25.0 108.252 172.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.9 t80 . . . . . 0 C--N 1.321 -0.661 0 N-CA-C 105.761 -1.94 . . . . 25.0 105.761 177.824 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.221 -0.439 0 N-CA-C 110.77 -0.085 . . . . 25.0 110.77 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -67.03 -45.53 77.19 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.407 -0.808 . . . . 25.0 110.201 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -57.95 -42.31 84.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.19 -0.3 . . . . 25.0 110.19 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 t -77.24 -29.16 53.95 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.84 -45.22 21.26 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.855 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -88.0 -22.86 24.03 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.7 m -136.28 175.39 9.65 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 110.151 -0.315 . . . . 25.0 110.151 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mm -76.75 125.92 36.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 O-C-N 121.705 -0.622 . . . . 25.0 109.784 -171.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -104.48 108.13 19.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 172.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 p -73.19 173.06 9.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.035 -1.468 . . . . 25.0 107.035 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.75 -31.61 64.76 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -66.81 -38.83 87.23 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.942 -0.474 . . . . 25.0 111.375 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -66.54 -39.59 88.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.77 -36.49 83.7 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.477 -0.783 . . . . 25.0 112.535 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -55.14 -27.56 46.3 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.396 0.888 . . . . 25.0 113.396 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -63.18 -26.81 68.98 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -74.28 -2.71 26.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.431 0.292 . . . . 25.0 110.935 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 m -115.52 146.97 41.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.388 0.613 . . . . 25.0 110.418 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.7 t30 . . . . . 0 C--O 1.207 -1.158 0 CA-C-O 124.63 2.157 . . . . 25.0 113.299 -179.264 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 119.251 -0.404 . . . . 25.0 109.945 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t -97.7 112.28 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.732 -1.211 . . . . 25.0 107.732 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -68.74 131.92 45.96 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 121.175 0.512 . . . . 25.0 110.656 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -160.14 158.45 30.22 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 103.926 -2.62 . . . . 25.0 103.926 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -75.92 149.6 37.69 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 105.752 -1.944 . . . . 25.0 105.752 166.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.53 129.89 48.18 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.652 0.66 . . . . 25.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 98.1 m -140.16 159.99 40.94 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.2 -140.53 46.55 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 121.113 -0.565 . . . . 25.0 113.306 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -30.88 68.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -62.78 -31.82 72.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.046 -0.409 . . . . 25.0 111.115 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.9 -48.03 64.35 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.128 -0.229 . . . . 25.0 110.969 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.32 -29.27 38.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 119.68 -0.808 . . . . 25.0 110.721 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -62.81 -40.91 98.83 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.898 -0.501 . . . . 25.0 110.21 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.75 87.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.894 0.378 . . . . 25.0 110.251 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.55 -34.62 78.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.143 0.423 . . . . 25.0 112.143 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -61.61 -36.37 80.53 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.84 -48.09 48.5 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.02 -41.82 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.189 0.518 . . . . 25.0 111.074 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.3 m -101.85 -8.51 21.56 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.36 -141.57 41.09 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.024 -1.084 . . . . 25.0 114.038 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.48 -9.19 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 115.604 1.705 . . . . 25.0 115.604 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -75.32 -12.31 60.24 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.179 0.899 . . . . 25.0 111.781 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.24 177.43 51.7 Favored Glycine 0 C--O 1.237 0.292 0 C-N-CA 121.144 -0.55 . . . . 25.0 112.325 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -163.03 177.32 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -130.18 166.02 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.6 t80 . . . . . 0 C--N 1.323 -0.565 0 O-C-N 121.891 -0.506 . . . . 25.0 110.226 -177.789 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.223 -0.316 0 CA-C-O 120.321 0.105 . . . . 25.0 111.277 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -68.19 -37.51 81.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.714 -0.616 . . . . 25.0 110.274 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -62.28 -42.23 99.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.231 -0.44 . . . . 25.0 110.759 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.61 -22.41 47.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.139 0.422 . . . . 25.0 112.139 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.5 t -74.18 -49.97 21.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.743 0.306 . . . . 25.0 110.704 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -88.12 -21.65 24.54 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.305 0.854 . . . . 25.0 113.305 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.498 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 51.8 m -134.96 -173.86 3.43 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mt -106.9 107.25 22.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.309 0.576 . . . . 25.0 111.659 -169.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.1 m -80.84 119.51 23.5 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 173.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 p -73.57 168.7 18.78 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 174.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.32 -32.38 64.59 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 111.983 0.364 . . . . 25.0 111.983 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -64.33 -37.75 88.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.479 0.656 . . . . 25.0 111.618 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -72.89 -37.41 67.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.012 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.44 -32.23 73.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.005 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.94 -25.68 31.15 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.067 0.765 . . . . 25.0 113.067 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -61.16 -30.03 70.15 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -66.41 -17.13 64.61 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.137 0.494 . . . . 25.0 110.934 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 p -137.46 44.0 2.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.317 1.056 . . . . 25.0 108.698 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.0 t30 . . . . . 0 C--O 1.209 -1.058 0 CA-C-O 123.787 1.756 . . . . 25.0 112.552 -179.172 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.3 t80 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.885 -0.578 . . . . 25.0 109.822 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.8 t -120.43 125.07 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.64 130.15 41.03 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 120.845 0.355 . . . . 25.0 110.738 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -159.92 150.36 18.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 105.325 -2.102 . . . . 25.0 105.325 175.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.5 m-70 -66.97 142.13 57.36 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 169.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -125.44 105.45 9.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.265 0.555 . . . . 25.0 110.677 -174.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -138.86 157.8 45.38 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.03 -143.52 48.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.53 -0.843 . . . . 25.0 111.116 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -28.61 67.23 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.36 -37.04 79.44 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.978 -0.452 . . . . 25.0 111.219 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.89 -43.71 87.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 25.0 109.938 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.32 -43.56 94.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.456 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -63.56 -36.22 83.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 25.0 110.735 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.71 76.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.876 0.369 . . . . 25.0 110.191 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.06 -30.46 71.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.773 0.657 . . . . 25.0 112.773 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -60.36 -38.74 84.79 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.316 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.81 -44.59 63.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.439 0.533 . . . . 25.0 112.439 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.48 -40.69 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.046 -0.525 . . . . 25.0 111.616 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -82.68 -15.83 50.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.521 -0.309 . . . . 25.0 110.764 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.16 -157.95 52.3 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-O 121.9 0.722 . . . . 25.0 112.115 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -67.45 -6.3 18.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -67.11 -26.16 66.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.722 0.296 . . . . 25.0 111.116 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.63 -177.24 53.48 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.542 -1.023 . . . . 25.0 110.542 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -162.77 -179.55 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.836 -1.913 . . . . 25.0 105.836 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -133.23 167.64 20.0 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.8 t80 . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 106.746 -1.576 . . . . 25.0 106.746 177.898 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t . . . . . 0 C--O 1.215 -0.746 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -68.33 -39.43 81.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.196 -0.315 . . . . 25.0 110.513 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -58.21 -37.91 75.76 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.059 0.224 . . . . 25.0 111.549 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.8 m -86.51 -29.59 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -79.34 -55.6 4.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -174.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -88.07 -20.39 25.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.049 0.452 . . . . 25.0 111.484 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.461 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 50.4 m -133.55 -164.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.543 -1.28 . . . . 25.0 107.543 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mt -119.23 115.16 46.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -174.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -94.54 154.06 17.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.8 p -85.24 167.33 15.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.8 0.333 . . . . 25.0 110.501 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.53 -28.0 68.07 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.089 0.403 . . . . 25.0 112.089 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -67.2 -37.96 84.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -70.25 -38.41 75.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.2 mt -60.09 -35.96 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.492 0.553 . . . . 25.0 112.492 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.02 -26.7 60.71 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.238 0.829 . . . . 25.0 113.238 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -63.86 -27.06 68.9 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.886 0.698 . . . . 25.0 112.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -65.89 -27.86 68.52 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.036 0.446 . . . . 25.0 109.848 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.0 m -87.1 51.28 2.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.27 1.033 . . . . 25.0 109.947 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 124.791 2.234 . . . . 25.0 112.372 -177.511 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 119.008 -0.52 . . . . 25.0 109.838 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.6 t -107.47 119.76 57.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -74.34 129.43 37.78 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 120.421 -0.512 . . . . 25.0 110.912 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -159.67 155.52 26.24 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 103.279 -2.86 . . . . 25.0 103.279 172.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 76.8 m-70 -68.16 138.12 55.42 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 106.82 -1.548 . . . . 25.0 106.82 170.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 67.2 mt -126.35 105.3 8.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.289 0.566 . . . . 25.0 111.281 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -139.21 157.22 46.31 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.43 -137.94 47.26 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.571 -0.823 . . . . 25.0 112.128 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.6 p -61.21 -28.55 69.23 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -64.2 -37.18 86.54 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.672 -0.642 . . . . 25.0 110.537 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.87 -40.04 87.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.38 -42.95 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.033 0.444 . . . . 25.0 110.453 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -65.54 -31.77 73.0 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.892 -0.505 . . . . 25.0 111.36 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.39 75.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.957 -0.465 . . . . 25.0 109.943 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.2 -32.6 74.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -56.51 -43.53 79.83 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 120.958 0.409 . . . . 25.0 110.132 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.87 -44.23 64.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.229 0.826 . . . . 25.0 113.229 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 82.8 t -72.28 -43.32 65.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.73 -172.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -91.62 -12.87 33.01 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.22 -0.592 . . . . 25.0 110.762 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.69 -147.41 49.94 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-O 122.246 0.915 . . . . 25.0 114.429 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.19 -6.33 17.51 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -71.01 -21.95 62.22 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.848 0.356 . . . . 25.0 110.557 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.69 175.92 51.14 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.276 -1.129 . . . . 25.0 110.276 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -167.46 177.12 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -137.28 165.38 26.3 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.344 -1.724 . . . . 25.0 106.344 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--N 1.323 -0.584 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 178.348 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -64.77 -42.91 94.74 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 122.056 -0.402 . . . . 25.0 110.021 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -58.79 -45.05 90.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.719 0.295 . . . . 25.0 111.048 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.2 m -74.65 -25.14 59.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.3 t -83.41 -45.61 13.48 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -81.04 -24.19 38.05 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.08 -0.387 . . . . 25.0 111.939 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.47 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 60.2 m -143.41 -177.68 5.5 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.765 -0.585 . . . . 25.0 109.962 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.7 mm -86.3 134.21 27.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 -174.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 p -124.0 141.03 52.4 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 173.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.4 p -89.41 173.88 8.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.337 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.67 -28.59 65.88 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 112.273 0.472 . . . . 25.0 112.273 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -69.71 -35.51 75.11 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.372 0.606 . . . . 25.0 110.729 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -72.72 -33.49 66.46 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.92 -35.12 80.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.606 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.22 -25.24 46.65 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -61.24 -26.8 67.99 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -73.31 1.77 8.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.736 0.414 . . . . 25.0 111.494 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -116.79 147.07 42.41 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 124.382 2.039 . . . . 25.0 111.285 178.602 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 t80 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 118.939 -0.553 . . . . 25.0 109.684 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -114.03 127.84 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -75.98 126.69 31.48 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 120.636 -0.425 . . . . 25.0 110.303 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -160.03 148.04 16.84 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 105.647 -1.983 . . . . 25.0 105.647 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.47 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.9 m-70 -69.61 144.6 52.95 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 170.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 mt -129.35 105.26 8.0 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 122.833 0.453 . . . . 25.0 109.918 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 62.5 m -110.14 -71.89 0.74 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.682 0.993 . . . . 25.0 113.682 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.08 -117.13 2.02 Favored Glycine 0 C--O 1.225 -0.433 0 CA-C-N 116.193 -0.458 . . . . 25.0 113.258 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.0 p -56.69 -31.89 64.9 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -58.04 -38.07 75.56 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.029 0.381 . . . . 25.0 112.029 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 29.2 tp -68.77 -41.96 78.12 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 109.532 -0.544 . . . . 25.0 109.532 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.55 -44.64 96.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.195 0.521 . . . . 25.0 110.425 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.02 -34.27 77.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 25.0 110.833 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.18 76.07 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.58 -32.37 73.66 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -59.05 -37.94 78.2 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 110.207 -0.294 . . . . 25.0 110.207 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.94 -46.01 59.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.0 -44.06 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 25.0 111.918 -171.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.49 -9.89 39.77 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.05 -0.66 . . . . 25.0 111.41 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.99 -145.73 45.8 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.103 -1.046 . . . . 25.0 113.073 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -70.73 -8.15 50.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 115.279 1.585 . . . . 25.0 115.279 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -74.71 -15.1 60.8 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.094 0.861 . . . . 25.0 112.116 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.21 173.54 48.57 Favored Glycine 0 C--O 1.228 -0.229 0 C-N-CA 121.118 -0.563 . . . . 25.0 111.714 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -164.46 178.67 7.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -129.05 160.26 33.34 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.0 t80 . . . . . 0 C--N 1.321 -0.65 0 N-CA-C 105.723 -1.954 . . . . 25.0 105.723 178.266 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.13 -33.12 72.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -177.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.97 -25.91 67.9 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.9 m -110.31 2.87 19.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.935 0.398 . . . . 25.0 111.593 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -109.27 -51.28 2.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -78.32 -20.96 50.33 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.292 0.568 . . . . 25.0 110.379 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -143.05 165.95 25.97 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 102.031 -3.322 . . . . 25.0 102.031 174.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' H ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.63 157.9 3.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 178.72 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -131.61 157.74 42.87 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 104.584 -2.376 . . . . 25.0 104.584 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.8 p -84.46 169.49 14.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.882 0.372 . . . . 25.0 110.759 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.48 -27.84 67.88 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 121.105 0.479 . . . . 25.0 111.341 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -68.47 -34.87 76.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.535 0.683 . . . . 25.0 110.048 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -73.26 -35.43 66.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.056 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.54 -32.09 72.98 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.492 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.17 -23.66 49.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.529 0.937 . . . . 25.0 113.529 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -66.3 -29.41 69.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.301 0.572 . . . . 25.0 111.839 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -74.45 -20.19 60.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.8 m -80.54 48.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t30 . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 123.772 1.749 . . . . 25.0 114.649 -179.015 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.3 t80 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 119.095 -0.479 . . . . 25.0 109.744 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.3 t -126.19 127.19 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -73.36 129.01 37.1 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -158.04 147.58 19.78 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 104.711 -2.329 . . . . 25.0 104.711 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -63.77 111.45 2.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.21 -0.45 . . . . 25.0 110.589 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.1 mt -125.3 138.91 54.08 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -153.31 163.02 40.66 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.965 -1.494 . . . . 25.0 106.965 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.98 -140.6 44.01 Favored Glycine 0 N--CA 1.453 -0.188 0 N-CA-C 110.757 -0.937 . . . . 25.0 110.757 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.3 p -58.42 -29.87 66.44 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.448 0.536 . . . . 25.0 112.448 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -70.65 -28.31 64.71 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.519 -0.738 . . . . 25.0 112.456 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 tp -73.61 -37.69 65.32 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.2 t -61.26 -39.26 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.206 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.47 -34.87 78.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.013 -0.429 . . . . 25.0 110.815 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -37.41 66.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.423 . . . . 25.0 109.916 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.49 -34.87 78.72 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.294 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -57.97 -38.91 76.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.329 0.513 . . . . 25.0 111.088 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -71.79 -43.67 65.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -76.45 -37.98 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.454 0.645 . . . . 25.0 110.899 -173.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' B' ' 24' ' ' PHE . 55.9 m -82.87 -22.01 34.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.386 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.54 -145.43 49.69 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.175 -1.17 . . . . 25.0 110.175 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mp0 -71.87 -9.96 59.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 115.004 1.483 . . . . 25.0 115.004 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -73.56 -16.04 61.27 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -174.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.44 176.16 51.27 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.824 -0.703 . . . . 25.0 112.523 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.409 ' HB3' ' SG ' ' B' ' 19' ' ' CYS . 48.6 p90 -165.39 -177.58 4.55 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 -175.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -129.16 161.87 29.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.769 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.2 t . . . . . 0 C--O 1.219 -0.526 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.32 -38.11 89.86 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -58.79 -42.57 89.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.274 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -78.9 -25.47 43.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.04 -50.29 10.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -176.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -87.24 -23.76 24.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.976 0.417 . . . . 25.0 111.109 -173.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.463 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.8 m -135.67 -179.25 5.53 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.948 -0.39 . . . . 25.0 109.948 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mm -87.9 131.75 34.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -117.92 136.23 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 172.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p -82.85 173.2 12.05 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.008 -0.367 . . . . 25.0 110.008 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -59.37 -29.37 67.65 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 111.726 0.269 . . . . 25.0 111.726 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -68.21 -35.03 77.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.725 0.774 . . . . 25.0 110.552 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -73.45 -33.67 65.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.04 -33.13 74.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.099 -0.5 . . . . 25.0 112.029 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.53 -29.21 64.16 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.071 -0.393 . . . . 25.0 111.706 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.58 -26.89 68.25 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -67.63 -24.51 65.47 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 122.3 -0.25 . . . . 25.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.84 36.89 3.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.245 1.022 . . . . 25.0 110.308 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 t30 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 123.524 1.631 . . . . 25.0 114.975 -177.164 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 t80 . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.62 117.58 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.24 129.14 38.95 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -160.01 150.52 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 105.355 -2.091 . . . . 25.0 105.355 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.463 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.8 m-70 -69.87 144.24 52.58 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 168.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.1 mt -129.2 112.82 14.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.515 0.561 . . . . 25.0 112.515 -172.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 70.7 m -131.8 156.69 45.56 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.484 -0.562 . . . . 25.0 109.484 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.71 -137.11 43.7 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 121.272 -0.489 . . . . 25.0 113.51 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -27.98 66.06 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 113.665 0.987 . . . . 25.0 113.665 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -39.91 95.0 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.603 -0.686 . . . . 25.0 109.893 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 tp -66.99 -41.47 86.69 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.93 -43.33 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.659 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.95 -32.7 74.35 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.856 -0.528 . . . . 25.0 111.402 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.65 78.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.09 -0.707 . . . . 25.0 109.09 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.1 -33.45 76.07 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -55.06 -44.57 74.87 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.031 0.443 . . . . 25.0 110.378 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.95 -43.58 65.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.433 0.901 . . . . 25.0 113.433 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.0 t -74.58 -40.63 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.259 0.552 . . . . 25.0 111.546 -173.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.5 m -81.78 -22.52 37.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.29 -150.98 52.1 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-O 121.861 0.701 . . . . 25.0 113.484 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.23 -8.1 22.48 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -70.41 -23.02 62.68 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.304 -0.247 . . . . 25.0 110.899 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.61 177.34 51.71 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 109.916 -1.274 . . . . 25.0 109.916 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -165.58 177.28 7.48 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -134.57 166.17 23.51 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.665 -1.606 . . . . 25.0 106.665 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.0 t80 . . . . . 0 C--N 1.32 -0.715 0 N-CA-C 107.032 -1.47 . . . . 25.0 107.032 177.589 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.218 -0.581 0 CA-C-O 120.616 0.246 . . . . 25.0 110.937 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -62.28 -42.83 99.68 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.82 -38.5 91.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.136 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.3 m -74.37 -30.9 62.19 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.543 -0.463 . . . . 25.0 111.646 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.9 m -70.05 -47.96 59.87 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.041 -0.263 . . . . 25.0 110.864 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -88.0 -24.78 23.42 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.776 1.028 . . . . 25.0 113.776 -174.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.44 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.6 t -138.34 -170.24 2.77 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.828 -0.545 . . . . 25.0 110.456 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.8 mm -92.65 124.14 44.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 121.72 -0.613 . . . . 25.0 111.408 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 m -104.07 119.79 39.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.9 p -76.39 170.41 16.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.38 -29.24 65.87 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -70.16 -39.28 75.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.114 0.483 . . . . 25.0 111.05 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.08 -36.88 80.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.18 -33.27 74.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.59 -0.732 . . . . 25.0 112.278 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.64 -24.99 62.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -60.6 -26.91 67.34 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -70.93 -21.74 62.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.322 -0.236 . . . . 25.0 111.346 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.4 m -83.12 67.35 9.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.774 0.797 . . . . 25.0 110.37 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--O 1.212 -0.905 0 CA-C-O 125.023 2.344 . . . . 25.0 111.87 178.679 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.7 t80 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.773 -0.632 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.8 t -124.17 130.45 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -66.96 128.71 37.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.907 0.384 . . . . 25.0 110.729 177.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -159.16 149.08 19.01 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 105.998 -1.853 . . . . 25.0 105.998 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 64.0 m-70 -67.67 144.83 55.3 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 170.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -135.78 117.75 15.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.641 0.258 . . . . 25.0 110.766 -175.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -143.38 159.95 41.43 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -141.18 46.43 Favored Glycine 0 C--O 1.231 -0.071 0 C-N-CA 120.919 -0.658 . . . . 25.0 111.686 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -29.39 67.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -34.16 75.85 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.957 -0.464 . . . . 25.0 111.405 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.25 -43.73 85.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.75 -41.91 88.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.236 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.68 -36.11 79.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.168 0.509 . . . . 25.0 110.612 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.2 75.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.765 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.28 -30.73 71.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -59.99 -41.7 92.6 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.1 mt -71.75 -41.22 68.7 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.51 -44.15 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.262 -0.426 . . . . 25.0 111.016 -174.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -20.57 27.23 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.9 -0.72 . . . . 25.0 111.751 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.27 -140.68 46.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.615 -0.802 . . . . 25.0 112.379 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.94 -23.56 61.55 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -63.74 -28.12 69.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 -179.27 47.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.838 -0.696 . . . . 25.0 111.907 -177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -166.82 177.66 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 104.461 -2.422 . . . . 25.0 104.461 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -140.08 165.42 27.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.559 -1.645 . . . . 25.0 106.559 171.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 107.624 -1.251 . . . . 25.0 107.624 179.483 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.216 -0.705 0 N-CA-C 110.579 -0.156 . . . . 25.0 110.579 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -67.59 -43.26 80.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -61.11 -33.71 73.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.392 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -83.13 -24.92 32.38 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.175 0.806 . . . . 25.0 113.175 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.5 -58.55 2.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -175.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -81.72 -18.29 44.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.223 0.535 . . . . 25.0 110.452 -173.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.492 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 39.7 m -138.98 -165.65 1.88 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.235 -1.394 . . . . 25.0 107.235 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.404 HD13 ' HB2' ' B' ' 3' ' ' ASN . 30.3 mt -116.23 112.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 -173.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -85.29 146.96 26.79 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -81.63 169.88 16.49 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.15 -29.52 69.83 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 122.276 -0.265 . . . . 25.0 111.13 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -67.24 -36.26 81.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.595 0.712 . . . . 25.0 110.288 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -71.24 -37.51 72.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.87 -0.605 . . . . 25.0 109.48 177.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.93 -35.82 77.72 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 111.874 0.324 . . . . 25.0 111.874 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -55.35 -25.1 32.96 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -64.76 -26.84 68.53 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -67.77 -10.98 57.38 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.855 -0.528 . . . . 25.0 110.594 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.1 m -103.5 22.55 14.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.345 0.593 . . . . 25.0 110.278 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 . . . . . 0 C--O 1.213 -0.844 0 CA-C-O 125.104 2.383 . . . . 25.0 111.59 -177.476 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 p -137.14 143.44 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 107.322 -1.362 . . . . 25.0 107.322 -178.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.404 ' HB2' HD13 ' A' ' 10' ' ' ILE . 6.4 p30 -77.38 134.0 38.56 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.716 0.77 . . . . 25.0 111.528 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -160.24 152.05 20.06 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 104.426 -2.435 . . . . 25.0 104.426 170.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.0 m-70 -67.3 143.53 56.37 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.235 -1.394 . . . . 25.0 107.235 169.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.4 mt -128.9 105.31 8.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.138 1.162 . . . . 25.0 114.138 -171.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 70.8 m -127.55 154.46 45.15 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -137.07 50.53 Favored Glycine 0 C--O 1.229 -0.166 0 C-N-CA 120.817 -0.706 . . . . 25.0 113.261 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -27.77 65.15 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -62.03 -40.72 96.69 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 121.877 -0.514 . . . . 25.0 110.396 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.19 -40.52 90.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.008 0.432 . . . . 25.0 109.902 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.67 -44.91 98.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.057 -0.52 . . . . 25.0 110.597 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.41 -31.53 72.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.785 -0.572 . . . . 25.0 111.347 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.44 80.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.82 -32.84 74.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -58.14 -42.02 84.96 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 110.073 -0.343 . . . . 25.0 110.073 175.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.56 -42.01 68.36 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -74.5 -41.33 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.998 0.428 . . . . 25.0 111.386 -174.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -17.73 33.45 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.033 -0.667 . . . . 25.0 111.345 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.5 -154.58 52.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.608 -0.806 . . . . 25.0 112.658 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -65.81 -6.39 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.532 1.308 . . . . 25.0 114.532 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -69.35 -23.12 63.72 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.316 -0.24 . . . . 25.0 111.349 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.51 178.23 52.28 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 109.567 -1.413 . . . . 25.0 109.567 -175.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -163.94 -179.45 6.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.911 -1.885 . . . . 25.0 105.911 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -136.49 169.02 18.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.6 t80 . . . . . 0 C--N 1.322 -0.629 0 N-CA-C 106.303 -1.739 . . . . 25.0 106.303 176.872 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.219 -0.503 0 N-CA-C 109.905 -0.405 . . . . 25.0 109.905 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -65.96 -42.21 90.21 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 122.068 -0.395 . . . . 25.0 110.195 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.73 -38.14 80.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.151 0.282 . . . . 25.0 110.955 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.3 m -81.3 -26.82 35.39 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.317 -0.553 . . . . 25.0 111.921 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 t -72.1 -54.09 10.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.188 0.518 . . . . 25.0 110.602 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -87.85 -18.56 28.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -174.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.45 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 23.9 p -142.49 -174.5 4.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.737 -0.468 . . . . 25.0 109.737 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -89.57 127.63 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 121.514 -0.741 . . . . 25.0 111.504 -168.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 m -109.89 119.12 38.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 168.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -76.15 169.24 18.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.741 -1.578 . . . . 25.0 106.741 175.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.57 -30.13 65.0 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -67.44 -36.84 82.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.434 0.635 . . . . 25.0 111.382 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -72.01 -33.59 68.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.378 0.608 . . . . 25.0 109.845 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.97 -32.1 73.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.661 -0.699 . . . . 25.0 111.73 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -57.31 -19.4 22.0 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -65.49 -26.99 68.17 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.676 -0.64 . . . . 25.0 112.194 176.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -73.85 -10.59 59.82 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.832 0.348 . . . . 25.0 111.585 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 131.21 42.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.184 -1.413 . . . . 25.0 107.184 178.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 114.609 1.337 . . . . 25.0 114.609 -178.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.93 -0.557 . . . . 25.0 109.781 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.42 141.34 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.541 -1.281 . . . . 25.0 107.541 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -69.13 136.09 51.69 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 120.911 0.386 . . . . 25.0 110.628 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -160.28 156.08 25.83 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.254 -2.498 . . . . 25.0 104.254 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.8 m-70 -67.99 141.95 56.1 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 106.124 -1.806 . . . . 25.0 106.124 169.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.3 mt -133.39 113.36 12.47 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.83 0.347 . . . . 25.0 110.906 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -141.64 154.76 45.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.51 -141.54 47.86 Favored Glycine 0 C--O 1.229 -0.163 0 C-N-CA 120.582 -0.818 . . . . 25.0 111.515 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -29.22 67.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -38.51 85.23 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 122.04 -0.413 . . . . 25.0 110.546 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 tp -67.19 -44.23 80.17 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.19 -43.8 98.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.009 0.433 . . . . 25.0 111.02 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -63.66 -35.02 79.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.165 0.507 . . . . 25.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.18 -38.83 69.0 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.17 -32.6 74.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.384 0.512 . . . . 25.0 112.384 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.55 -40.74 79.54 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 120.945 -0.302 . . . . 25.0 110.35 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.94 -43.85 64.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.03 0.752 . . . . 25.0 113.03 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.58 -42.66 71.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 25.0 111.308 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 m -86.18 -20.79 28.05 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.735 -0.386 . . . . 25.0 111.777 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.57 -129.9 20.96 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-O 122.205 0.892 . . . . 25.0 113.764 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -62.31 -21.53 65.33 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -23.18 61.1 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.636 -0.665 . . . . 25.0 112.385 -177.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.25 172.72 37.84 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.984 -0.846 . . . . 25.0 110.984 -175.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -160.02 176.69 11.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -130.62 161.2 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.5 t80 . . . . . 0 C--N 1.321 -0.644 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 178.729 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.471 0.595 0 CA-C-O 121.068 0.461 . . . . 25.0 110.767 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.03 -44.31 89.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -38.22 88.72 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.234 -0.187 . . . . 25.0 111.367 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.5 m -73.79 -17.31 61.1 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.59 -51.46 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.052 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -76.27 -23.5 54.43 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.211 -0.306 . . . . 25.0 111.761 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.493 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 49.4 m -136.13 -169.08 2.35 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 107.948 -1.13 . . . . 25.0 107.948 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' B' ' 3' ' ' ASN . 33.7 mt -110.44 113.11 43.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.208 0.527 . . . . 25.0 111.714 -170.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 m -83.36 120.2 25.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 171.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.5 p -72.34 168.4 18.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 176.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -57.7 -30.01 65.16 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.963 -0.46 . . . . 25.0 111.577 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -67.11 -38.63 85.98 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 121.455 0.645 . . . . 25.0 111.127 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -70.64 -36.56 73.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.07 -32.09 73.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.186 -0.461 . . . . 25.0 112.022 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.93 -22.12 47.21 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -62.08 -27.59 69.02 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.91 -0.494 . . . . 25.0 112.093 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -77.22 -16.24 59.14 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.78 61.61 2.48 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.383 1.253 . . . . 25.0 114.383 -171.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.2 t30 . . . . . 0 C--O 1.208 -1.091 0 CA-C-O 124.348 2.023 . . . . 25.0 112.065 175.011 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.9 t80 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 119.008 -0.52 . . . . 25.0 109.668 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.2 143.64 34.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 106.59 -1.634 . . . . 25.0 106.59 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.404 ' HB2' HG21 ' A' ' 10' ' ' ILE . 8.4 p30 -72.88 137.16 45.48 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.112 -0.635 . . . . 25.0 110.507 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -160.3 147.03 15.79 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.362 -2.088 . . . . 25.0 105.362 171.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.493 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.3 m-70 -66.7 142.38 57.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 169.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -126.63 105.37 8.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.245 0.545 . . . . 25.0 111.869 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 45.1 m -118.57 148.66 42.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.347 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.06 -136.87 50.5 Favored Glycine 0 C--O 1.227 -0.286 0 C-N-CA 120.619 -0.8 . . . . 25.0 113.402 175.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -26.28 65.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.82 1.044 . . . . 25.0 113.82 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -38.52 84.38 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.664 -0.647 . . . . 25.0 109.622 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.29 -43.67 81.17 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.827 -0.435 . . . . 25.0 109.827 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.59 -44.1 96.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.733 0.302 . . . . 25.0 111.061 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -68.0 -29.73 68.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.942 -0.474 . . . . 25.0 111.548 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.61 70.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.14 -33.95 76.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.368 -0.378 . . . . 25.0 111.816 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.13 -39.46 78.79 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.616 -0.433 . . . . 25.0 110.302 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.82 -46.43 58.14 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.09 -44.65 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.262 0.553 . . . . 25.0 110.877 -173.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.1 m -84.04 -17.81 39.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.192 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.67 -154.97 38.11 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.381 -0.914 . . . . 25.0 112.424 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.89 -6.59 22.57 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -18.77 62.4 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.128 -0.357 . . . . 25.0 110.983 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.78 174.18 49.74 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.982 -0.627 . . . . 25.0 112.048 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -163.51 -179.45 6.48 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.798 -1.186 . . . . 25.0 107.798 -176.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -123.73 157.66 33.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 t80 . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 107.679 -1.23 . . . . 25.0 107.679 179.658 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 121.459 0.647 . . . . 25.0 111.567 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.56 -40.52 97.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.82 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -64.87 -39.46 93.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.821 0.304 . . . . 25.0 111.821 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.1 m -78.85 -18.87 53.28 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.543 -0.463 . . . . 25.0 111.596 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -79.03 -42.63 26.06 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -85.18 -25.11 27.6 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.455 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.9 m -138.55 176.91 8.28 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.376 -0.827 . . . . 25.0 112.142 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -82.01 125.06 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 121.74 -0.6 . . . . 25.0 111.177 -170.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -110.91 101.64 10.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.351 -0.981 . . . . 25.0 108.351 171.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -71.19 169.86 14.22 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.65 -32.88 44.29 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 -177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -65.34 -38.94 91.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.542 0.687 . . . . 25.0 111.853 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -70.33 -38.81 74.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.009 -0.738 . . . . 25.0 109.009 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.69 -35.59 81.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.713 -0.676 . . . . 25.0 112.634 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -56.07 -26.43 49.4 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -64.35 -26.67 68.57 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -68.15 -21.25 64.92 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.283 0.563 . . . . 25.0 110.098 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.5 m -106.28 45.35 0.98 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.972 0.891 . . . . 25.0 109.673 -175.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 . . . . . 0 C--O 1.212 -0.887 0 CA-C-O 124.794 2.235 . . . . 25.0 111.858 -179.199 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.868 -0.587 . . . . 25.0 109.735 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 p -132.73 135.23 57.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 107.559 -1.274 . . . . 25.0 107.559 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -79.68 133.41 36.37 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 120.717 0.294 . . . . 25.0 110.505 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.11 154.64 23.9 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 174.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.7 m-70 -68.06 145.14 54.72 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 106.63 -1.619 . . . . 25.0 106.63 169.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 mt -132.79 116.01 16.02 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.64 0.257 . . . . 25.0 110.608 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 m -121.1 151.67 39.58 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.26 -134.94 41.11 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.076 -0.583 . . . . 25.0 114.099 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -59.43 -28.38 66.9 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 114.038 1.125 . . . . 25.0 114.038 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -62.48 -34.69 77.34 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.825 -0.547 . . . . 25.0 110.661 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.65 -43.44 80.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.62 -42.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.04 -0.527 . . . . 25.0 110.426 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -62.33 -36.25 81.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.007 0.432 . . . . 25.0 110.588 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.27 73.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.695 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.71 -32.64 74.2 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -60.16 -41.07 92.01 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.916 0.388 . . . . 25.0 110.262 176.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.4 mt -71.7 -45.15 62.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -72.62 -40.24 62.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.65 -172.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.0 m -94.88 -7.52 39.88 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.919 -177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.85 -155.97 51.94 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-O 122.592 1.107 . . . . 25.0 114.862 173.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -66.85 -6.3 15.76 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -66.21 -27.77 68.23 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.781 0.324 . . . . 25.0 111.435 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.36 -179.57 52.59 Favored Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 109.86 -1.296 . . . . 25.0 109.86 -174.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -166.91 179.21 5.38 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 106.456 -1.683 . . . . 25.0 106.456 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.66 163.48 24.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 94.3 t80 . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 107.791 -1.189 . . . . 25.0 107.791 179.518 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.221 -0.445 0 N-CA-C 110.394 -0.225 . . . . 25.0 110.394 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -65.76 -41.35 92.21 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.455 -0.778 . . . . 25.0 109.857 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.01 -40.51 85.16 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.141 0.275 . . . . 25.0 110.67 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -73.78 -37.44 64.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 177.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.5 m -70.65 -48.84 52.88 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.328 0.492 . . . . 25.0 112.328 -177.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -88.08 -23.14 23.8 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -173.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.445 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.8 t -140.33 -170.04 2.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.907 -0.496 . . . . 25.0 109.899 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.4 mm -97.53 108.58 21.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.3 p -91.86 142.87 27.09 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 173.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.8 p -84.92 169.08 14.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.703 0.287 . . . . 25.0 110.719 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -61.62 -28.03 69.07 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 120.881 0.372 . . . . 25.0 111.297 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -67.88 -38.55 83.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.264 0.554 . . . . 25.0 109.81 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.31 -36.72 77.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.104 -0.498 . . . . 25.0 110.123 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.13 -33.87 75.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.291 178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -61.12 -22.25 64.48 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 113.209 0.818 . . . . 25.0 113.209 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -65.18 -27.03 68.41 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.855 -0.528 . . . . 25.0 111.414 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -68.27 -17.5 64.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.035 0.445 . . . . 25.0 110.03 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.2 p -131.44 49.64 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 t30 . . . . . 0 C--O 1.209 -1.052 0 C-N-CA 126.702 2.001 . . . . 25.0 113.437 -179.38 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.6 t80 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.899 -0.572 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.32 129.22 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -71.79 130.31 40.77 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.685 0.755 . . . . 25.0 111.54 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -160.11 155.11 24.63 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 104.09 -2.559 . . . . 25.0 104.09 171.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.1 m-70 -66.41 141.57 57.89 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 106.431 -1.692 . . . . 25.0 106.431 170.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -129.31 111.93 13.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.987 0.422 . . . . 25.0 110.906 -174.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.39 157.61 44.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.42 -0.956 . . . . 25.0 108.42 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.38 -137.78 49.72 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.604 -0.808 . . . . 25.0 112.313 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.8 p -60.73 -29.32 69.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.92 -39.21 93.88 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.495 -0.753 . . . . 25.0 110.157 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.4 tp -66.92 -42.46 85.33 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.85 -45.53 98.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.509 -0.314 . . . . 25.0 110.946 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -68.59 -30.19 68.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.744 -0.597 . . . . 25.0 111.68 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.2 78.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.18 -33.71 76.66 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -57.0 -42.48 80.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.713 -0.395 . . . . 25.0 109.94 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.87 -44.26 64.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -75.2 -41.7 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 121.262 0.553 . . . . 25.0 111.407 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 83.6 m -78.72 -24.18 45.07 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.14 -141.7 47.47 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.708 -0.758 . . . . 25.0 112.485 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.1 -9.68 42.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -69.98 -26.05 63.91 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 122.108 -0.37 . . . . 25.0 111.046 178.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.78 179.31 49.7 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 109.471 -1.452 . . . . 25.0 109.471 -174.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -162.81 177.27 9.44 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -131.64 165.34 23.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.3 t80 . . . . . 0 C--N 1.321 -0.66 0 N-CA-C 105.573 -2.01 . . . . 25.0 105.573 176.082 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.218 -0.588 0 N-CA-C 110.793 -0.077 . . . . 25.0 110.793 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -65.56 -45.02 84.95 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.441 -0.787 . . . . 25.0 108.946 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -58.93 -40.15 83.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.123 0.264 . . . . 25.0 110.663 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 m -73.2 -33.65 65.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.0 m -75.3 -48.58 22.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -88.17 -16.68 32.71 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.558 0.947 . . . . 25.0 113.558 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -139.15 -178.41 5.34 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.9 mm -74.11 119.25 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 121.477 -0.764 . . . . 25.0 110.571 -167.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.491 ' HB3' HD23 ' B' ' 6' ' ' LEU . 10.7 t -90.12 74.78 7.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -63.61 164.83 8.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.523 -0.762 . . . . 25.0 109.581 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -52.99 -30.72 36.78 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -64.88 -39.61 93.82 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.017 0.437 . . . . 25.0 111.657 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -69.36 -41.43 76.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.56 -36.9 84.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.046 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.5 -29.84 66.57 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -67.08 -26.65 66.82 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.446 0.535 . . . . 25.0 112.446 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -73.74 -21.17 60.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.72 0.295 . . . . 25.0 110.296 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.4 m -75.83 102.77 5.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.701 0.763 . . . . 25.0 110.432 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.207 -1.164 0 CA-C-O 124.04 1.876 . . . . 25.0 112.405 178.707 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 119.105 -0.474 . . . . 25.0 109.813 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 66.5 t -113.82 123.51 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.18 130.03 41.84 Favored 'General case' 0 CA--C 1.503 -0.832 0 C-N-CA 120.764 -0.374 . . . . 25.0 110.741 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -160.37 156.23 25.86 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 105.109 -2.182 . . . . 25.0 105.109 174.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -75.57 140.76 42.88 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 170.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 11' ' ' CYS . 1.4 mm? -126.79 124.38 39.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.479 0.581 . . . . 25.0 110.32 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 t -144.86 159.64 42.57 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.62 -142.77 48.14 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 121.029 -0.605 . . . . 25.0 112.315 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -27.48 67.28 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.587 0.588 . . . . 25.0 112.587 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -66.32 -29.11 69.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.842 -0.536 . . . . 25.0 111.478 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 tp -67.82 -41.79 82.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.23 -40.07 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.346 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.67 -34.61 77.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.861 0.362 . . . . 25.0 111.038 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.05 -34.68 64.14 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.075 -0.342 . . . . 25.0 110.075 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.1 mt -65.61 -30.65 71.4 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.998 0.37 . . . . 25.0 111.998 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -60.36 -36.7 78.64 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.554 175.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.95 -43.45 65.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.55 -39.18 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.009 0.433 . . . . 25.0 111.829 -172.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -21.32 40.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 176.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.65 -159.49 50.56 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.53 -0.843 . . . . 25.0 111.535 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.16 -6.19 12.61 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.09 -25.1 66.86 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.824 0.345 . . . . 25.0 110.458 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.39 171.93 48.15 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 111.722 -0.551 . . . . 25.0 111.722 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -164.16 176.67 9.02 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -136.18 163.36 30.55 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 106.739 -1.578 . . . . 25.0 106.739 179.353 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.219 -0.519 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -65.23 -38.46 90.46 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.954 -0.298 . . . . 25.0 110.478 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -59.44 -36.18 75.43 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.376 0.139 . . . . 25.0 111.376 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.1 m -81.61 -35.15 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.67 -52.17 11.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.567 0.951 . . . . 25.0 113.567 -174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -87.83 -21.07 25.26 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.469 0.652 . . . . 25.0 111.757 -173.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.429 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 29.2 p -140.04 -170.68 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mm -96.48 134.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 106.908 -1.516 . . . . 25.0 106.908 -175.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -118.79 145.38 45.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.976 -1.49 . . . . 25.0 106.976 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.8 t -85.35 166.05 16.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.302 -0.408 . . . . 25.0 110.613 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.03 -27.87 63.95 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -65.34 -36.14 83.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.558 0.694 . . . . 25.0 110.682 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -72.36 -36.57 68.81 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.99 -0.745 . . . . 25.0 108.99 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.58 -36.86 84.05 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.207 -0.308 . . . . 25.0 110.563 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.76 -20.32 63.43 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 175.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.83 -27.09 65.53 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.596 -0.69 . . . . 25.0 110.728 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -74.21 -8.69 57.09 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.015 0.436 . . . . 25.0 111.213 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -77.1 155.96 32.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.519 0.675 . . . . 25.0 109.274 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 C--O 1.213 -0.83 0 CA-C-O 123.513 1.625 . . . . 25.0 111.33 176.626 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.8 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.993 -0.527 . . . . 25.0 109.701 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.48 116.25 43.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.03 127.43 32.54 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 120.41 -0.516 . . . . 25.0 110.472 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -159.0 151.52 21.62 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 104.222 -2.51 . . . . 25.0 104.222 173.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 66.7 m-70 -68.11 140.23 56.2 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 106.638 -1.615 . . . . 25.0 106.638 170.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.5 mt -126.95 106.6 9.41 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.009 0.523 . . . . 25.0 109.958 -174.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.27 160.28 40.32 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.237 -1.023 . . . . 25.0 108.237 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.56 -138.18 48.48 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.591 -0.814 . . . . 25.0 111.657 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 33.0 p -61.38 -30.32 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.04 -38.16 87.66 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.69 -0.631 . . . . 25.0 110.051 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.17 -45.98 75.34 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.17 -0.308 . . . . 25.0 110.17 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.07 -42.22 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.846 0.355 . . . . 25.0 111.088 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -67.74 -29.35 68.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.661 -0.649 . . . . 25.0 111.342 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.91 76.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.16 -34.22 77.86 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.635 0.235 . . . . 25.0 111.635 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.2 -39.36 86.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 120.964 -0.295 . . . . 25.0 110.208 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.1 mt -71.93 -45.75 60.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.28 -41.1 57.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.221 0.534 . . . . 25.0 111.319 -173.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -22.76 33.42 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.623 -0.831 . . . . 25.0 110.677 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.17 -148.53 50.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.194 -1.003 . . . . 25.0 111.089 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.63 -6.58 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.68 -26.39 67.01 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.003 0.371 . . . . 25.0 112.003 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.24 157.94 24.88 Favored Glycine 0 C--O 1.225 -0.421 0 C-N-CA 121.117 -0.564 . . . . 25.0 111.972 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -151.35 176.83 10.87 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 -176.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -131.87 159.83 37.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.9 t80 . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 106.872 -1.529 . . . . 25.0 106.872 177.585 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 121.792 0.806 . . . . 25.0 110.551 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.05 -33.45 76.06 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.804 -0.635 . . . . 25.0 109.99 -176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -59.8 -40.85 89.76 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 120.631 -0.427 . . . . 25.0 110.707 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.3 m -77.78 -22.14 50.63 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.4 m -86.83 -32.81 20.09 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.747 -0.381 . . . . 25.0 111.925 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -88.16 -35.83 17.18 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.521 0.563 . . . . 25.0 112.521 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -135.71 166.86 22.29 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 mm -81.48 118.12 28.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 119.772 -0.771 . . . . 25.0 109.549 -176.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -87.33 132.12 34.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p -81.34 171.1 15.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.87 -30.0 67.4 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -69.52 -37.2 77.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.207 0.527 . . . . 25.0 110.192 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -70.92 -39.73 72.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 mt -62.77 -31.98 73.05 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.77 -30.92 64.1 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.671 0.669 . . . . 25.0 111.231 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -68.31 -27.96 66.74 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.097 0.406 . . . . 25.0 112.097 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -70.75 -21.65 62.5 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 110.132 -0.321 . . . . 25.0 110.132 -177.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.6 p -121.97 25.39 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.771 0.796 . . . . 25.0 110.943 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 C--O 1.209 -1.079 0 CA-C-O 124.024 1.868 . . . . 25.0 113.084 -178.386 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 119.052 -0.499 . . . . 25.0 109.692 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -138.38 143.51 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 106.19 -1.782 . . . . 25.0 106.19 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -81.28 127.29 32.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.422 0.63 . . . . 25.0 110.77 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -160.06 140.8 12.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 104.845 -2.28 . . . . 25.0 104.845 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -70.39 132.76 46.12 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.692 -0.403 . . . . 25.0 110.84 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 mt -135.08 129.54 34.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -138.15 162.22 34.79 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.16 -138.06 45.72 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.462 -0.875 . . . . 25.0 111.743 178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.4 p -60.41 -28.45 68.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -68.94 -30.69 69.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.514 -0.741 . . . . 25.0 110.793 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.52 -34.51 65.27 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.28 -40.38 87.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.907 -0.775 . . . . 25.0 108.907 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -68.13 -25.89 65.51 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.912 -0.493 . . . . 25.0 111.917 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -43.68 79.55 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.55 -31.44 72.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.082 -0.508 . . . . 25.0 112.151 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -55.68 -44.53 77.4 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 174.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.86 -43.14 65.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.25 -43.92 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -172.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -18.42 32.26 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.077 -0.649 . . . . 25.0 109.758 177.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.96 -157.56 53.38 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.436 -0.887 . . . . 25.0 113.473 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -65.04 -6.58 9.09 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 116.215 1.932 . . . . 25.0 116.215 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -71.84 -13.29 61.64 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.112 0.869 . . . . 25.0 111.444 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.28 171.34 44.17 Favored Glycine 0 C--O 1.228 -0.276 0 N-CA-C 109.105 -1.598 . . . . 25.0 109.105 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -164.37 174.34 11.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -130.38 164.98 23.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.04 -1.467 . . . . 25.0 107.04 176.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.3 t80 . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -178.572 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -63.77 -32.51 74.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.882 -0.512 . . . . 25.0 111.627 -175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -57.95 -39.99 79.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.804 0.335 . . . . 25.0 110.581 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.7 m -90.43 -21.18 22.04 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.369 -0.533 . . . . 25.0 111.821 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -71.25 -44.51 65.14 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.9 -0.407 . . . . 25.0 109.9 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -88.09 -19.09 27.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.16 1.171 . . . . 25.0 114.16 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -142.75 -178.67 5.91 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.724 -0.61 . . . . 25.0 112.332 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -84.99 127.9 39.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 -172.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.0 m -112.05 105.46 13.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.221 0.534 . . . . 25.0 110.124 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -67.05 165.75 15.13 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -54.24 -31.69 54.04 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -66.06 -38.54 88.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.44 0.638 . . . . 25.0 111.636 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -70.11 -37.35 75.33 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.44 -32.22 73.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.364 -0.835 . . . . 25.0 111.979 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -59.24 -18.97 41.78 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -66.92 -28.21 68.11 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.784 -0.572 . . . . 25.0 111.616 175.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.43 ' HB2' HD21 ' B' ' 15' ' ' LEU . 61.8 m-85 -88.18 -1.58 58.1 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.275 0.63 . . . . 25.0 110.384 -177.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -86.46 152.46 22.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -169.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 t30 . . . . . 0 C--O 1.217 -0.611 0 CA-C-O 124.077 1.894 . . . . 25.0 111.039 173.609 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.883 -0.58 . . . . 25.0 109.594 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 83.5 t -124.18 129.03 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -76.18 126.39 30.9 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 120.225 -0.59 . . . . 25.0 110.777 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -160.19 152.67 20.91 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 104.355 -2.461 . . . . 25.0 104.355 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -67.27 140.96 57.37 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.011 -1.478 . . . . 25.0 107.011 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.92 105.83 12.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.214 0.53 . . . . 25.0 110.041 -176.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.52 152.08 46.65 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.39 -135.23 47.91 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.413 -0.899 . . . . 25.0 111.837 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.4 p -60.53 -29.99 69.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -63.2 -35.61 80.88 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.74 -0.6 . . . . 25.0 110.983 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.8 tp -68.0 -47.77 67.59 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.384 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m -69.37 -34.01 60.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 120.075 -0.65 . . . . 25.0 111.008 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -64.71 -41.29 96.11 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.963 -0.461 . . . . 25.0 110.674 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.87 91.19 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' A' ' 19' ' ' TYR . 27.5 mt -66.12 -32.3 73.67 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -59.92 -37.43 79.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.78 -44.41 64.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.675 0.62 . . . . 25.0 112.675 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -68.42 -40.24 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.415 0.626 . . . . 25.0 110.635 -174.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.4 m -89.09 -23.85 22.41 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.67 -142.18 48.08 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.583 -1.407 . . . . 25.0 109.583 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -70.18 -6.33 33.63 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.576 1.324 . . . . 25.0 114.576 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.03 -25.12 64.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.69 -0.631 . . . . 25.0 111.92 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.94 177.38 50.58 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.186 -0.766 . . . . 25.0 111.186 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -156.92 -179.64 8.4 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.509 -1.663 . . . . 25.0 106.509 -176.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -130.13 168.23 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.587 0.708 . . . . 25.0 110.224 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 C--N 1.321 -0.645 0 N-CA-C 105.655 -1.98 . . . . 25.0 105.655 -179.054 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.223 -0.322 0 CA-C-O 120.226 0.06 . . . . 25.0 110.845 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -65.87 -44.81 84.28 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.447 -0.783 . . . . 25.0 109.766 177.576 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -59.67 -40.21 87.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.815 0.34 . . . . 25.0 110.563 -177.728 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.6 m -77.73 -20.71 53.04 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.6 t -87.17 -44.38 11.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.799 0.333 . . . . 25.0 111.115 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -84.86 -14.94 46.38 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -176.842 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -142.56 -178.21 5.66 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 122.03 -0.418 . . . . 25.0 109.948 177.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -74.29 120.91 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.561 0.696 . . . . 25.0 110.716 -169.312 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -94.45 102.39 14.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 178.207 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.6 p -78.93 166.29 22.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.92 -28.96 68.04 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.832 0.348 . . . . 25.0 111.451 179.118 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -67.38 -37.76 83.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.432 0.634 . . . . 25.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.17 -37.76 78.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.433 -0.581 . . . . 25.0 109.433 177.518 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.09 -37.02 83.45 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.38 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.91 -29.74 63.31 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.543 0.571 . . . . 25.0 112.543 178.59 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.13 -26.84 68.36 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.421 0.897 . . . . 25.0 113.421 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -74.2 -7.12 51.57 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.116 0.484 . . . . 25.0 111.411 -178.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.9 m -106.88 135.41 48.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.729 0.776 . . . . 25.0 110.081 -173.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 t30 . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 124.566 2.127 . . . . 25.0 112.005 -178.378 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.63 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.49 130.24 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -67.95 129.41 39.82 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.138 0.494 . . . . 25.0 111.318 178.617 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -159.72 155.53 26.14 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 104.86 -2.274 . . . . 25.0 104.86 171.65 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -69.07 143.22 54.3 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 168.385 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.09 108.22 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.98 0.419 . . . . 25.0 111.272 -177.116 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.3 m -122.23 150.76 41.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.74 -134.39 51.75 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 120.921 -0.657 . . . . 25.0 112.802 176.018 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -58.35 -31.03 67.22 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -59.86 -36.07 76.11 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.751 0.705 . . . . 25.0 110.636 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.4 tp -68.0 -45.21 74.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.987 0.423 . . . . 25.0 110.112 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -64.82 -43.14 96.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.187 -178.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.34 -34.29 77.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.892 0.377 . . . . 25.0 110.675 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.9 -34.18 66.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.779 0.323 . . . . 25.0 110.323 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.26 -34.16 77.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.825 0.306 . . . . 25.0 111.825 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -61.46 -35.81 78.67 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.946 -0.302 . . . . 25.0 110.365 176.082 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.88 -48.03 48.64 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 178.739 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.42 -42.12 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.51 -171.621 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -97.44 -8.19 29.94 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.624 -0.43 . . . . 25.0 112.078 -178.018 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.1 -154.56 51.37 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.212 -0.994 . . . . 25.0 113.213 175.546 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -68.27 -6.51 24.3 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.552 0.945 . . . . 25.0 113.552 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -67.48 -21.94 65.5 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 122.232 -0.293 . . . . 25.0 111.27 179.257 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.63 179.33 50.34 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.932 -0.652 . . . . 25.0 112.51 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -165.83 -177.7 4.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 -175.596 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -132.3 161.31 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 174.062 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.0 t80 . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 -178.492 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.218 -0.557 0 N-CA-C 110.765 -0.087 . . . . 25.0 110.765 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -68.73 -44.83 72.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.118 -0.697 . . . . 25.0 109.118 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.14 -39.44 82.39 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 123.062 0.226 . . . . 25.0 111.369 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.5 m -75.98 -36.74 59.12 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.2 m -75.39 -51.14 13.81 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 -177.223 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -87.95 -19.82 26.75 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.399 0.889 . . . . 25.0 113.399 -174.07 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -136.61 -175.29 3.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 -176.61 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -71.32 120.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 121.393 -0.817 . . . . 25.0 111.981 -166.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 t -94.34 90.52 6.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.911 -1.04 . . . . 25.0 108.21 178.02 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.8 p -77.54 165.95 23.68 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 -179.151 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.07 -28.98 66.98 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 111.906 0.336 . . . . 25.0 111.906 179.386 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.79 -37.82 82.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.335 0.588 . . . . 25.0 110.927 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.37 -40.44 81.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.642 -0.873 . . . . 25.0 108.642 177.255 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.2 -36.94 83.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.951 -0.568 . . . . 25.0 112.226 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.39 -30.98 67.23 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 178.302 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.85 -26.82 66.23 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -177.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -72.27 -6.79 45.55 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.085 0.469 . . . . 25.0 110.903 179.504 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.7 m -110.47 40.16 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.01 0.909 . . . . 25.0 110.378 -175.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 C--O 1.213 -0.845 0 CA-C-O 123.428 1.585 . . . . 25.0 111.204 -179.484 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.059 -0.349 . . . . 25.0 110.059 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.6 t -95.82 112.42 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -64.7 134.75 54.87 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 178.657 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -159.91 159.71 32.69 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 105.326 -2.101 . . . . 25.0 105.326 175.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -68.24 137.64 54.92 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 170.182 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.3 mt -135.66 121.86 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.922 0.392 . . . . 25.0 111.08 -175.812 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -144.58 164.24 31.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.04 -143.88 48.62 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.821 -0.704 . . . . 25.0 112.311 178.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -27.72 68.72 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -63.47 -36.04 82.44 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 122.089 -0.382 . . . . 25.0 110.449 178.133 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.8 tp -67.15 -43.08 83.22 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 178.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.89 -42.63 96.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.919 -179.461 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -63.77 -34.66 78.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.03 0.443 . . . . 25.0 110.935 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.68 -36.37 73.28 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.789 -0.364 . . . . 25.0 110.474 179.422 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.98 -35.93 82.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.564 -0.289 . . . . 25.0 111.674 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -59.03 -38.36 79.12 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 110.139 -0.319 . . . . 25.0 110.139 176.576 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.8 mt -71.77 -48.43 46.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.791 1.034 . . . . 25.0 113.791 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.64 -40.8 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.231 0.538 . . . . 25.0 110.936 -171.721 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -99.93 -10.89 21.16 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.824 0.676 . . . . 25.0 112.824 -175.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.25 -140.95 38.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.04 -1.076 . . . . 25.0 113.748 176.673 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -7.27 36.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 116.595 2.072 . . . . 25.0 116.595 -176.455 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -75.21 -15.21 60.56 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 119.02 0.827 . . . . 25.0 111.576 -177.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.24 176.97 51.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.192 -0.528 . . . . 25.0 112.459 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -167.57 179.25 4.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.06 -2.2 . . . . 25.0 105.06 -177.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -128.76 162.42 27.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.453 0.644 . . . . 25.0 110.202 174.557 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 105.51 -2.033 . . . . 25.0 105.51 179.691 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 120.544 0.211 . . . . 25.0 110.738 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -65.62 -42.57 91.4 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 121.797 -0.564 . . . . 25.0 109.706 177.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -57.76 -45.1 86.37 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 110.19 -0.3 . . . . 25.0 110.19 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 m -75.14 -28.18 60.07 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.61 -0.436 . . . . 25.0 111.945 -176.663 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -73.87 -53.35 10.39 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.031 -0.268 . . . . 25.0 111.65 178.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -88.1 -16.58 33.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -172.317 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.433 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.7 t -141.95 -168.31 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 178.868 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.39 116.22 50.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 O-C-N 121.73 -0.606 . . . . 25.0 109.579 -176.033 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.9 m -75.75 130.98 39.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 173.482 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.7 p -74.09 166.6 23.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.864 -1.532 . . . . 25.0 106.864 174.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.81 -31.83 68.81 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 120.849 -0.341 . . . . 25.0 111.284 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -65.16 -38.46 90.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.428 0.632 . . . . 25.0 111.5 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -69.49 -39.48 77.62 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.6 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.38 -35.47 80.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.327 0.491 . . . . 25.0 112.327 179.222 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -55.22 -30.23 59.59 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 177.659 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -62.66 -26.87 68.86 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 -179.49 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -62.85 -22.66 66.84 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 122.26 -0.275 . . . . 25.0 110.787 178.51 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.6 p -130.93 44.74 2.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.073 0.94 . . . . 25.0 109.402 175.718 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 C--O 1.21 -0.975 0 CA-C-O 124.051 1.882 . . . . 25.0 112.26 -179.078 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.76 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.99 123.64 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.26 126.84 31.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 120.266 -0.574 . . . . 25.0 110.344 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -160.18 149.78 17.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 174.475 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.4 m-70 -72.67 141.56 48.26 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 173.461 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.3 mt -130.27 105.35 7.85 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.629 0.371 . . . . 25.0 110.702 -172.159 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 t -133.33 -17.46 2.33 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.01 1.485 . . . . 25.0 115.01 -177.286 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.76 -137.3 6.36 Favored Glycine 0 C--O 1.229 -0.192 0 N-CA-C 110.092 -1.203 . . . . 25.0 110.092 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.2 p -55.95 -26.9 50.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.986 0.422 . . . . 25.0 111.719 176.258 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -55.61 -36.25 66.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 177.074 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.4 tp -67.98 -40.13 83.19 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.593 -0.521 . . . . 25.0 109.593 -177.837 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.1 t -67.25 -42.97 88.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.229 0.538 . . . . 25.0 110.106 177.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.73 -34.86 78.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.456 . . . . 25.0 110.674 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.93 74.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.502 -0.317 . . . . 25.0 110.315 179.558 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -65.2 -29.69 70.53 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -178.187 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -58.5 -42.41 87.59 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.068 0.461 . . . . 25.0 110.175 174.649 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.4 mt -71.99 -44.07 64.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.063 0.458 . . . . 25.0 112.161 -178.083 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -75.4 -41.46 42.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.82 -172.259 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -16.45 47.11 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.439 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.82 -158.59 53.72 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-O 121.939 0.744 . . . . 25.0 113.249 177.893 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.99 -6.41 16.75 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -178.287 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -65.66 -24.71 67.09 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.708 0.289 . . . . 25.0 111.516 178.218 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.38 174.52 50.39 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 108.725 -1.75 . . . . 25.0 108.725 -174.476 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -163.05 177.26 9.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 -176.593 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -131.14 160.65 34.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 173.629 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 t80 . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 178.94 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.218 -0.602 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -65.23 -40.5 94.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.364 -0.21 . . . . 25.0 111.102 179.383 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -60.9 -43.67 98.19 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 120.483 -0.487 . . . . 25.0 110.012 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 m -73.23 -29.88 63.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.2 t -70.11 -51.13 34.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.835 0.35 . . . . 25.0 110.589 -178.849 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 t -87.97 -22.69 24.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 -174.526 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.48 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.7 t -137.62 -176.99 4.6 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.512 -0.742 . . . . 25.0 110.858 -178.437 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -70.55 122.05 21.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 122.073 0.939 . . . . 25.0 112.103 -166.03 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -94.91 86.17 4.59 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 177.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.8 p -73.99 171.58 13.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.676 -0.693 . . . . 25.0 109.215 -179.459 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.45 -27.84 66.44 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 122.315 -0.241 . . . . 25.0 111.245 178.057 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -71.28 -38.31 71.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.091 0.472 . . . . 25.0 110.46 179.379 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -67.0 -39.83 87.21 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 177.587 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.64 -36.99 85.3 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.897 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.15 -31.43 68.96 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.095 -0.378 . . . . 25.0 111.906 177.12 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -66.02 -26.83 67.71 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.578 0.584 . . . . 25.0 112.578 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.1 -26.35 63.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.897 0.379 . . . . 25.0 110.21 177.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -73.64 135.7 43.81 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--O 1.207 -1.143 0 CA-C-O 123.914 1.816 . . . . 25.0 112.501 -179.925 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 119.001 -0.524 . . . . 25.0 109.774 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -132.67 143.55 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 106.703 -1.591 . . . . 25.0 106.703 -178.897 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -64.36 137.73 58.05 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.278 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -160.05 140.0 11.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.43 -0.805 . . . . 25.0 109.802 176.408 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.7 m-70 -74.29 141.09 45.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.272 -1.751 . . . . 25.0 106.272 166.368 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -138.44 119.37 14.31 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 117.986 0.357 . . . . 25.0 110.105 -177.179 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -131.49 -57.05 1.01 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -176.359 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.74 -143.35 4.78 Favored Glycine 0 C--O 1.224 -0.512 0 C-N-CA 121.336 -0.459 . . . . 25.0 112.234 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -26.26 8.03 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.314 1.227 . . . . 25.0 114.314 179.322 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -56.46 -36.38 68.99 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 175.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.57 -42.18 82.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.182 0.515 . . . . 25.0 110.186 -178.772 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.95 -42.62 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.369 179.717 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.45 -32.69 74.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.02 0.438 . . . . 25.0 111.321 -179.605 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.57 -34.52 65.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.876 0.369 . . . . 25.0 110.25 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.49 -30.7 71.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -59.24 -39.82 84.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.948 0.404 . . . . 25.0 110.15 175.736 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.0 mt -71.9 -44.62 63.42 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.481 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.05 -39.92 21.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.894 0.378 . . . . 25.0 111.364 -172.444 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -22.64 47.63 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.81 -0.756 . . . . 25.0 109.447 177.44 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.72 -148.43 50.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.345 -0.931 . . . . 25.0 111.83 179.103 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.28 -6.44 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -178.595 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -66.34 -26.85 67.48 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.016 -0.428 . . . . 25.0 111.407 178.343 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.83 168.4 39.25 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 109.127 -1.589 . . . . 25.0 109.127 -174.616 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -157.63 176.7 12.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -177.192 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -130.96 162.62 29.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 175.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.3 t80 . . . . . 0 C--N 1.321 -0.647 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 177.437 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -65.55 -36.51 84.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.287 -0.415 . . . . 25.0 110.112 179.146 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.84 -45.16 93.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.824 0.345 . . . . 25.0 110.659 179.297 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -79.91 -12.65 59.72 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.294 0.479 . . . . 25.0 112.294 -179.493 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -86.98 -42.68 12.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 25.0 110.032 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -83.94 -26.59 29.16 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 -177.672 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.447 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 12.2 t -136.38 179.01 6.62 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 107.299 -1.371 . . . . 25.0 107.299 177.557 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.77 114.94 36.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 118.881 0.764 . . . . 25.0 109.117 -176.221 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.1 m -75.93 118.05 18.31 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.663 -1.606 . . . . 25.0 106.663 171.646 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.3 p -71.77 170.74 12.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.351 -1.352 . . . . 25.0 107.351 176.66 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.07 -30.05 63.98 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -179.625 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -69.02 -37.99 78.96 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 121.27 0.557 . . . . 25.0 111.173 179.398 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -72.37 -38.47 68.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.001 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.13 -32.41 73.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.929 -0.578 . . . . 25.0 112.067 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -56.03 -27.09 51.73 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 176.559 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.54 -26.76 68.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -69.61 -18.18 63.59 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.63 0.253 . . . . 25.0 111.226 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.4 p -134.75 40.39 2.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.224 1.012 . . . . 25.0 109.727 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 . . . . . 0 C--O 1.208 -1.079 0 CA-C-O 124.001 1.858 . . . . 25.0 112.454 178.631 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.7 t80 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 119.058 -0.496 . . . . 25.0 109.747 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.16 128.75 71.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 179.148 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -71.54 127.74 33.57 Favored 'General case' 0 CA--C 1.506 -0.735 0 C-N-CA 120.106 -0.637 . . . . 25.0 109.848 -179.445 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -158.64 151.42 22.19 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 103.075 -2.935 . . . . 25.0 103.075 173.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.8 m-70 -66.77 142.91 57.21 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 175.085 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.05 112.98 21.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.999 0.428 . . . . 25.0 110.078 -176.639 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.42 151.01 50.92 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 179.342 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.54 -139.95 48.27 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.689 -0.767 . . . . 25.0 112.271 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -26.44 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -61.71 -30.07 70.52 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.84 -0.538 . . . . 25.0 111.008 178.718 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.53 -41.56 72.39 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-O 120.867 0.365 . . . . 25.0 110.253 178.215 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.6 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.43 0.633 . . . . 25.0 109.83 178.543 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -63.66 -35.97 82.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.086 -0.506 . . . . 25.0 111.024 179.486 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.76 -38.71 73.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.961 0.41 . . . . 25.0 110.27 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.59 -31.69 73.02 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -178.098 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.93 -41.69 83.28 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.712 -0.395 . . . . 25.0 110.705 176.348 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.95 -43.01 65.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.55 -43.2 48.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.89 0.376 . . . . 25.0 111.476 -173.3 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -80.97 -20.22 42.39 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.199 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.95 -152.4 51.87 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.557 -0.83 . . . . 25.0 112.426 178.733 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -68.07 -6.15 21.26 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.036 1.125 . . . . 25.0 114.036 -178.213 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -68.72 -25.9 64.99 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.782 0.325 . . . . 25.0 110.534 177.293 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.33 179.68 52.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 110.587 -1.005 . . . . 25.0 110.587 -176.377 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -164.57 177.53 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 -178.102 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -128.42 160.15 33.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 176.266 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.4 t80 . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 179.222 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.219 -0.502 0 N-CA-C 110.664 -0.125 . . . . 25.0 110.664 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -67.28 -46.01 74.89 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 176.609 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -59.59 -39.98 85.94 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.708 -179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.1 m -72.92 -28.55 62.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.542 0.941 . . . . 25.0 113.542 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.04 -48.04 11.89 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -86.01 -19.39 30.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -174.7 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -141.67 -176.29 4.7 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 178.814 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.82 122.17 19.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.819 0.819 . . . . 25.0 111.88 -167.341 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -91.65 85.76 5.78 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 106.996 -1.483 . . . . 25.0 106.996 176.004 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -72.48 167.69 20.07 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.001 -0.741 . . . . 25.0 109.001 -178.329 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.49 -29.4 67.81 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 121.107 -0.237 . . . . 25.0 111.512 179.338 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -67.68 -38.97 84.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.341 0.591 . . . . 25.0 110.971 179.057 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -66.17 -40.21 90.33 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 176.848 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -64.77 -37.03 86.22 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.36 -34.73 70.98 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.93 -0.481 . . . . 25.0 111.813 177.429 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -64.79 -26.89 68.54 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -178.639 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -68.07 -25.21 65.23 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.971 -0.455 . . . . 25.0 110.46 178.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.2 m -82.54 109.3 16.62 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 178.371 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.206 -1.189 0 CA-C-O 123.998 1.856 . . . . 25.0 113.4 -179.29 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 91.6 t80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 119.03 -0.509 . . . . 25.0 110.027 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.53 120.48 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -64.53 134.75 55.07 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 120.789 0.328 . . . . 25.0 111.134 -179.503 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.12 158.52 30.42 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 105.402 -2.073 . . . . 25.0 105.402 175.889 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -69.43 142.62 53.8 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 105.896 -1.89 . . . . 25.0 105.896 168.607 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.8 mt -136.53 127.56 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 -174.782 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -138.03 164.11 29.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 176.085 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.13 -140.96 38.25 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 114.457 0.543 . . . . 25.0 114.457 173.166 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -29.17 68.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -64.52 -35.44 80.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.152 -0.343 . . . . 25.0 111.006 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.15 -41.7 90.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.486 -0.561 . . . . 25.0 109.486 178.761 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.06 -40.79 86.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.207 -0.451 . . . . 25.0 110.986 179.08 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -61.41 -35.31 77.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.138 0.494 . . . . 25.0 110.513 178.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -34.03 65.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.907 -179.228 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.42 -34.08 77.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.425 -0.172 . . . . 25.0 111.279 179.431 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -59.68 -38.05 80.47 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 120.653 0.263 . . . . 25.0 110.441 175.454 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.97 -44.0 64.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -179.383 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.5 -42.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.797 -171.789 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.64 -11.99 40.94 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.956 -0.698 . . . . 25.0 110.817 179.039 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.93 -148.05 46.14 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-O 122.532 1.074 . . . . 25.0 113.788 175.551 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -15.02 61.85 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 116.084 1.883 . . . . 25.0 116.084 -176.784 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -73.3 -14.9 61.39 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.293 0.497 . . . . 25.0 111.569 -177.321 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.22 178.51 52.42 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-O 121.651 0.584 . . . . 25.0 112.952 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -166.41 178.39 6.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 103.702 -2.703 . . . . 25.0 103.702 -177.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -134.7 162.49 32.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 170.708 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 C--N 1.321 -0.646 0 N-CA-C 106.133 -1.803 . . . . 25.0 106.133 179.078 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.219 -0.501 0 N-CA-C 110.089 -0.338 . . . . 25.0 110.089 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -65.44 -43.3 90.86 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.734 -0.604 . . . . 25.0 109.38 177.552 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -57.05 -46.78 82.18 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.264 0.353 . . . . 25.0 110.221 179.488 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.2 m -72.43 -33.46 67.12 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -177.812 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.5 m -73.04 -53.42 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 t -87.92 -16.19 34.55 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -172.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -144.79 -175.54 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.93 -0.481 . . . . 25.0 109.731 -178.632 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mm -68.23 121.52 17.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.807 0.813 . . . . 25.0 111.787 -167.224 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.58 150.02 20.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 104.835 -2.283 . . . . 25.0 104.835 173.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -141.97 167.38 22.28 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 179.417 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.84 -33.45 66.78 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 112.244 0.461 . . . . 25.0 112.244 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -66.22 -40.22 90.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.173 0.511 . . . . 25.0 111.082 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -69.98 -39.52 75.91 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 178.6 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.6 mt -60.89 -37.03 80.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.213 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.77 -35.3 68.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 177.036 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -65.55 -26.9 68.09 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.435 0.902 . . . . 25.0 113.435 -177.805 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -68.95 -20.96 64.21 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.141 -0.349 . . . . 25.0 110.96 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.6 m -82.31 152.22 26.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 -179.433 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 t30 . . . . . 0 C--O 1.213 -0.864 0 CA-C-O 124.509 2.1 . . . . 25.0 111.75 178.282 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.9 t80 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 72.4 t -128.23 131.14 69.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 105.802 -1.925 . . . . 25.0 105.802 179.123 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -89.45 141.21 28.77 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -177.891 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.39 164.53 32.31 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 104.479 -2.415 . . . . 25.0 104.479 170.933 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -61.1 125.91 25.43 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.811 -1.086 . . . . 25.0 110.275 176.891 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.52 120.78 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 123.736 0.815 . . . . 25.0 111.194 -177.1 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -142.85 158.85 43.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 177.65 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.86 -139.14 46.44 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.009 178.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -60.43 -28.64 68.44 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.868 0.692 . . . . 25.0 112.868 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -62.84 -36.63 83.86 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.661 -0.649 . . . . 25.0 110.623 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.26 -41.86 84.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 -179.423 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.72 -44.78 98.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.039 -0.528 . . . . 25.0 110.986 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -67.91 -28.25 67.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.689 -0.632 . . . . 25.0 111.814 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.59 -38.52 70.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 177.131 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.56 -35.28 80.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.476 -0.329 . . . . 25.0 111.828 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -57.01 -41.64 78.85 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 110.356 -0.239 . . . . 25.0 110.356 176.009 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.01 -43.87 64.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -179.064 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -73.96 -41.8 52.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.002 0.429 . . . . 25.0 111.534 -173.312 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -16.88 33.88 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.733 -0.787 . . . . 25.0 111.32 179.382 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.81 -147.07 50.27 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.404 -0.903 . . . . 25.0 112.973 176.596 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.3 mp0 -68.27 -8.01 35.73 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -177.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -70.94 -22.66 62.19 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.603 0.239 . . . . 25.0 110.598 178.87 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.24 176.7 51.14 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.287 -0.725 . . . . 25.0 111.287 -177.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -162.3 178.86 8.32 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 -177.224 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -136.27 164.63 27.64 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.68 -1.23 . . . . 25.0 107.68 174.332 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.3 t80 . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 105.232 -2.136 . . . . 25.0 105.232 177.089 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.225 -0.23 0 CA-C-O 120.55 0.214 . . . . 25.0 110.6 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -63.55 -44.84 93.02 Favored 'General case' 0 CA--C 1.51 -0.572 0 O-C-N 121.971 -0.456 . . . . 25.0 110.831 179.152 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -59.32 -39.56 83.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.149 0.281 . . . . 25.0 110.895 -175.91 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.8 m -80.03 -29.18 39.27 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.956 0.354 . . . . 25.0 111.956 -178.877 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.1 t -71.95 -48.43 45.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.911 0.386 . . . . 25.0 110.281 -179.267 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -88.06 -19.6 26.89 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 114.348 1.24 . . . . 25.0 114.348 -176.015 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.2 t -141.51 -174.75 4.13 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 121.751 -0.593 . . . . 25.0 110.942 -177.799 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.65 117.15 32.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 121.669 -0.644 . . . . 25.0 110.908 -170.51 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 m -98.76 108.06 20.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 172.509 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -73.35 168.65 18.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 174.735 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -52.85 -30.42 33.58 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 113.737 1.014 . . . . 25.0 113.737 -177.58 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.38 -38.54 90.34 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.225 0.536 . . . . 25.0 111.755 -179.492 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -74.58 -38.37 62.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.609 0.719 . . . . 25.0 109.464 178.313 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.28 -34.91 79.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.377 -0.828 . . . . 25.0 112.5 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -53.11 -28.76 27.06 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.202 0.815 . . . . 25.0 113.202 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -61.57 -26.92 68.26 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -71.88 -6.63 43.18 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.287 0.565 . . . . 25.0 111.051 179.042 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 m -110.55 140.76 44.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.883 -1.155 . . . . 25.0 107.883 -177.802 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 114.39 1.256 . . . . 25.0 114.39 -175.699 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.3 t80 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 119.019 -0.515 . . . . 25.0 109.781 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.72 121.92 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -73.49 130.25 39.69 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.171 0.51 . . . . 25.0 110.593 -178.772 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -160.08 151.98 20.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 104.672 -2.344 . . . . 25.0 104.672 174.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.2 m-70 -72.74 143.86 47.84 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.747 -1.575 . . . . 25.0 106.747 168.316 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.09 111.41 17.42 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.624 0.37 . . . . 25.0 110.99 -177.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.21 153.35 42.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 178.207 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.34 -143.24 48.54 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.558 -0.829 . . . . 25.0 111.719 -179.398 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.6 t -59.8 -29.15 68.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.639 0.607 . . . . 25.0 112.639 179.487 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -36.65 75.96 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.625 -0.672 . . . . 25.0 110.762 178.373 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp -68.17 -44.08 76.77 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.54 -44.92 99.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.121 0.486 . . . . 25.0 110.822 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -67.46 -30.76 70.57 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.174 -0.329 . . . . 25.0 111.673 -178.932 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.35 79.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.923 -0.486 . . . . 25.0 110.028 178.01 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.09 -31.78 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.49 0.552 . . . . 25.0 112.49 -177.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -59.21 -41.17 87.95 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 174.893 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.0 mt -71.8 -44.92 63.14 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.3 -44.83 77.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.813 -0.63 . . . . 25.0 112.367 -171.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 94.8 m -94.9 -8.79 36.15 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.568 -0.453 . . . . 25.0 111.214 -178.155 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.86 -145.18 45.98 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-O 122.395 0.997 . . . . 25.0 113.661 174.603 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -68.96 -6.94 30.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -175.847 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -74.84 -15.38 60.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.276 0.944 . . . . 25.0 111.542 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.87 175.9 51.04 Favored Glycine 0 CA--C 1.517 0.172 0 N-CA-C 111.634 -0.587 . . . . 25.0 111.634 -177.133 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -164.62 176.52 8.82 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 -177.607 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -132.96 168.97 17.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 173.737 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--N 1.32 -0.691 0 N-CA-C 107.499 -1.296 . . . . 25.0 107.499 178.396 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 120.992 0.425 . . . . 25.0 110.052 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -65.78 -43.2 89.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.778 -0.453 . . . . 25.0 109.778 178.41 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.01 -41.23 97.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.373 -0.376 . . . . 25.0 110.501 -179.777 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.5 m -72.68 -28.06 62.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.477 0.547 . . . . 25.0 112.477 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -72.08 -45.04 62.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.253 -0.43 . . . . 25.0 110.436 178.337 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -87.76 -19.68 27.22 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -175.093 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.1 p -137.16 179.0 6.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.702 -0.624 . . . . 25.0 110.576 -177.756 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -74.84 115.42 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.829 0.823 . . . . 25.0 109.282 -170.682 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 t -88.46 75.73 8.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.995 -1.002 . . . . 25.0 108.298 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 m -64.82 168.39 6.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.617 -0.72 . . . . 25.0 110.481 -179.313 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.85 -27.89 45.79 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -67.67 -38.1 83.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.19 0.519 . . . . 25.0 110.89 178.249 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -71.32 -38.72 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 178.469 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.02 -34.56 78.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.623 -0.717 . . . . 25.0 112.082 179.514 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.35 -26.61 65.21 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 122.071 -0.393 . . . . 25.0 111.935 176.6 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.69 -27.0 62.74 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 122.028 -0.42 . . . . 25.0 111.614 178.808 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -79.06 -28.13 43.15 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 175.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 t -75.19 95.49 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.831 -1.077 . . . . 25.0 112.331 -170.717 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 C--O 1.213 -0.847 0 CA-C-O 124.521 2.105 . . . . 25.0 111.419 -179.997 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.2 t80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 119.016 -0.516 . . . . 25.0 109.766 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.2 t -120.93 126.97 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.32 125.74 29.6 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 120.145 -0.622 . . . . 25.0 110.936 -178.541 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -160.28 153.71 22.2 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 104.283 -2.488 . . . . 25.0 104.283 173.213 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -68.51 144.71 54.52 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.584 -1.636 . . . . 25.0 106.584 171.537 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.3 mt -129.57 117.51 20.55 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 -176.002 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -132.94 -55.8 0.93 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -174.338 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.61 -145.57 5.69 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 111.599 -0.601 . . . . 25.0 111.599 178.011 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -21.05 7.16 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.282 1.215 . . . . 25.0 114.282 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -55.85 -35.35 66.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 173.845 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.92 -42.6 89.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.176 0.512 . . . . 25.0 109.804 -178.526 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.47 -41.74 83.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.429 179.316 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.0 -34.24 77.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.842 0.354 . . . . 25.0 110.99 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.44 -33.45 62.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.662 -0.245 . . . . 25.0 110.689 179.561 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.73 -32.72 74.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 119.638 -0.22 . . . . 25.0 111.518 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -58.89 -38.22 78.36 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.843 -0.343 . . . . 25.0 110.55 175.642 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -71.84 -42.63 66.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 -179.411 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.27 -42.48 50.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.151 -0.477 . . . . 25.0 110.256 -174.358 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -78.44 -25.42 45.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.541 -0.3 . . . . 25.0 111.548 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.64 -141.96 46.04 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.091 -1.052 . . . . 25.0 110.953 -177.338 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -69.88 -9.34 54.52 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.145 1.535 . . . . 25.0 115.145 -178.335 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -73.2 -18.43 61.25 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.44 1.018 . . . . 25.0 111.438 -177.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.11 174.87 43.78 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.267 -0.492 . . . . 25.0 112.933 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -167.6 176.17 6.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.323 -2.103 . . . . 25.0 105.323 -179.723 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -137.81 163.14 32.14 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 172.224 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.6 t80 . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 177.599 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 C--O 1.22 -0.451 0 N-CA-C 111.596 0.221 . . . . 25.0 111.596 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -70.71 -28.68 64.92 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.054 -0.658 . . . . 25.0 109.728 -179.095 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -61.83 -44.21 97.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.625 -0.261 . . . . 25.0 110.342 177.545 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.3 m -83.24 -17.69 41.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.934 0.397 . . . . 25.0 112.036 179.591 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.7 t -73.93 -44.33 55.39 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.692 -0.484 . . . . 25.0 109.692 176.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -88.13 -26.57 22.4 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.142 0.793 . . . . 25.0 113.142 -178.014 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 m -126.0 172.07 10.26 Favored 'General case' 0 C--O 1.204 -1.32 0 O-C-N 122.057 -0.402 . . . . 25.0 110.874 -178.611 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.84 -43.39 86.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 N-CA-C 115.035 1.494 . . . . 25.0 115.035 -164.189 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 m 55.17 89.83 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.007 0.908 . . . . 25.0 112.82 -173.811 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.2 p -65.12 168.18 7.04 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 175.441 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.64 -28.09 30.92 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -177.452 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -67.5 -36.24 80.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.236 0.541 . . . . 25.0 111.596 179.154 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -73.9 -38.93 64.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 177.076 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.22 -32.15 73.48 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.781 -0.645 . . . . 25.0 112.408 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.76 -25.76 20.41 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.225 0.824 . . . . 25.0 113.225 177.204 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -63.72 -26.94 68.88 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.703 0.631 . . . . 25.0 112.703 178.652 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -78.76 -12.42 60.02 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.38 148.05 50.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.586 0.707 . . . . 25.0 112.04 -170.046 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.207 -1.138 0 CA-C-O 124.365 2.031 . . . . 25.0 113.335 -177.837 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 119.078 -0.487 . . . . 25.0 109.769 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 82.0 t -123.22 122.75 66.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.543 -1.651 . . . . 25.0 106.543 179.106 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.24 126.28 29.05 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.081 0.467 . . . . 25.0 111.111 -177.198 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -159.88 148.17 17.17 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.628 -2.36 . . . . 25.0 104.628 176.186 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -66.8 143.19 57.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.132 -1.062 . . . . 25.0 108.132 171.612 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.05 105.27 12.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.423 0.63 . . . . 25.0 111.016 -175.515 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -139.95 152.92 46.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.5 -142.51 48.0 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.601 -0.809 . . . . 25.0 111.545 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -27.85 66.69 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 179.447 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -61.93 -35.04 77.25 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.958 -0.464 . . . . 25.0 111.142 179.436 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.1 tp -65.44 -44.45 87.27 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 178.139 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.08 -42.84 98.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.132 0.491 . . . . 25.0 110.494 -179.358 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.18 -36.33 83.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.04 0.448 . . . . 25.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.82 68.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.919 0.39 . . . . 25.0 110.266 -178.797 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.04 -29.46 69.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -177.898 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.86 -37.4 81.98 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.622 -0.431 . . . . 25.0 110.146 174.553 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.82 -43.02 66.29 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 179.635 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.3 t -71.78 -43.9 69.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 25.0 110.603 -174.485 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -80.25 -24.71 39.95 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.596 -0.441 . . . . 25.0 111.773 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.54 -137.21 50.04 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 109.649 -1.381 . . . . 25.0 109.649 -176.271 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.47 -8.81 53.9 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.494 1.294 . . . . 25.0 114.494 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -70.02 -26.75 64.2 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.778 -0.576 . . . . 25.0 112.479 -178.578 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.93 170.74 36.23 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.776 -0.726 . . . . 25.0 112.828 -177.662 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -160.7 176.71 11.22 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.414 -2.069 . . . . 25.0 105.414 -177.807 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -137.16 163.15 31.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.823 -1.547 . . . . 25.0 106.823 175.867 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.8 t80 . . . . . 0 C--N 1.321 -0.645 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 178.746 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 121.082 0.468 . . . . 25.0 110.088 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -63.89 -45.72 88.1 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 178.069 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -65.37 -39.24 92.05 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.639 -0.255 . . . . 25.0 111.214 179.188 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 m -69.93 -34.32 73.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -178.928 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.9 m -74.76 -47.77 29.25 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 178.833 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -88.06 -19.41 27.13 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -174.337 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -139.36 -174.44 3.87 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 -177.208 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm -74.92 116.83 18.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 121.452 -0.78 . . . . 25.0 111.461 -167.594 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -87.23 82.15 7.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 175.202 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.9 p -69.97 169.36 13.45 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.766 -0.827 . . . . 25.0 108.766 -178.457 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.46 -28.59 63.49 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 120.588 0.232 . . . . 25.0 111.561 179.303 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -69.82 -38.27 76.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.213 0.53 . . . . 25.0 111.114 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.4 -41.18 76.75 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 177.367 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.84 -36.58 83.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 25.0 111.983 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -57.69 -28.96 64.27 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 178.615 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -70.72 -26.94 63.62 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.546 0.572 . . . . 25.0 112.546 179.88 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.03 -17.01 48.28 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.789 0.804 . . . . 25.0 109.67 177.703 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.1 158.68 20.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 122.474 1.131 . . . . 25.0 113.994 -166.193 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.2 t30 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 124.846 2.26 . . . . 25.0 110.695 174.146 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.3 t80 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 119.112 -0.47 . . . . 25.0 109.828 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.7 t -119.23 129.12 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 107.361 -1.348 . . . . 25.0 107.361 179.747 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -73.13 132.88 43.81 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.376 0.132 . . . . 25.0 110.74 -179.317 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -160.42 149.21 16.94 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.704 0.764 . . . . 25.0 108.982 178.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -73.91 125.26 27.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.664 -1.153 . . . . 25.0 108.247 172.049 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.9 118.56 28.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -176.002 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -138.48 159.14 42.84 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 177.605 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.92 -138.38 49.61 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.872 -0.68 . . . . 25.0 112.74 178.006 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.3 p -60.97 -28.7 69.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.004 0.742 . . . . 25.0 113.004 -179.465 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -63.14 -35.84 81.61 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.627 -0.671 . . . . 25.0 110.703 178.907 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.29 -42.23 88.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -64.2 -44.86 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.894 179.228 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -65.52 -30.85 71.66 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.78 -0.575 . . . . 25.0 111.997 -178.88 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -35.47 74.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.87 0.367 . . . . 25.0 110.592 179.144 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.9 -29.1 69.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 -177.404 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -59.41 -39.72 84.37 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 176.179 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.3 mt -71.35 -41.52 69.66 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -177.751 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.59 -36.89 42.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.186 -174.372 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -82.48 -28.25 31.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.014 -0.675 . . . . 25.0 112.493 178.785 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.92 -135.43 51.99 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 109.772 -1.331 . . . . 25.0 109.772 -175.463 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -68.23 -10.13 52.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 114.552 1.316 . . . . 25.0 114.552 -179.011 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -68.33 -24.68 64.85 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.034 0.753 . . . . 25.0 113.034 -178.455 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.26 170.58 23.63 Favored Glycine 0 C--O 1.221 -0.682 0 N-CA-C 109.697 -1.361 . . . . 25.0 109.697 -174.284 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -157.51 174.98 14.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -134.19 165.04 26.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 178.164 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.8 t80 . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 177.033 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 121.526 0.679 . . . . 25.0 109.892 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.46 -41.28 96.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 25.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -63.84 -41.92 97.72 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.299 -179.461 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.6 m -75.26 -16.75 60.43 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 -179.063 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -82.52 -44.56 15.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.387 -0.37 . . . . 25.0 110.446 176.681 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 t -83.66 -26.85 29.53 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -176.442 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.442 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 87.8 p -134.01 -179.45 5.56 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.76 115.14 38.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 -177.648 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.5 m -78.1 117.07 19.04 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 174.0 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -66.37 163.14 18.85 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 175.116 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.26 -33.29 52.44 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -178.377 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -63.51 -38.04 89.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.382 0.611 . . . . 25.0 112.269 179.44 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -73.6 -38.13 65.22 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 178.044 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.2 -33.96 76.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.406 179.478 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.67 -23.33 27.74 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 177.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -63.48 -26.78 68.88 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 178.346 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -73.95 -10.74 59.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.064 0.459 . . . . 25.0 111.108 179.14 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.1 m -97.42 132.97 42.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.159 0.98 . . . . 25.0 110.409 -175.32 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.214 -0.778 0 CA-C-O 124.942 2.306 . . . . 25.0 112.317 179.707 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.1 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 119.092 -0.48 . . . . 25.0 109.733 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.93 122.23 53.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.8 107.67 12.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 121.407 0.622 . . . . 25.0 111.071 -178.172 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -147.07 143.85 28.65 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 104.298 -2.482 . . . . 25.0 104.298 174.187 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 65.5 m-70 -65.6 145.0 56.6 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 175.4 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.94 112.43 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -172.148 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 73.3 m -130.14 153.33 48.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 173.905 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.42 -136.73 46.34 Favored Glycine 0 C--O 1.228 -0.256 0 C-N-CA 120.941 -0.647 . . . . 25.0 113.444 175.542 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -27.11 65.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 179.877 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -64.82 -35.27 80.56 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.972 -0.455 . . . . 25.0 110.186 177.656 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 tp -69.64 -42.84 73.73 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.71 -43.07 96.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.593 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.87 -33.87 77.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.96 -0.462 . . . . 25.0 111.165 178.858 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.33 85.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.086 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 99.0 mt -65.69 -34.71 78.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.018 0.377 . . . . 25.0 112.018 -179.472 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -60.32 -38.09 82.65 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 110.398 -0.223 . . . . 25.0 110.398 175.892 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.96 -44.28 63.81 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 178.533 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -68.58 -44.93 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.261 -0.427 . . . . 25.0 111.885 -173.046 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.9 m -100.77 -6.1 25.42 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 -177.067 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.07 -148.95 45.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 119.843 -1.17 . . . . 25.0 113.069 176.007 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.86 -6.18 36.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 115.384 1.624 . . . . 25.0 115.384 -177.069 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -72.03 -15.33 62.03 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.318 0.963 . . . . 25.0 111.286 -178.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.98 176.48 50.03 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-O 121.605 0.558 . . . . 25.0 113.006 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -165.87 179.98 5.59 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 103.727 -2.694 . . . . 25.0 103.727 -178.3 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -134.99 164.52 27.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 177.561 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 t80 . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 179.039 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--O 1.219 -0.549 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -64.83 -37.84 88.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.333 -0.394 . . . . 25.0 110.663 179.858 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -61.75 -45.21 94.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.746 0.248 . . . . 25.0 110.894 178.128 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.2 m -73.15 -26.2 61.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.861 0.362 . . . . 25.0 111.654 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -75.22 -47.86 26.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.409 -0.36 . . . . 25.0 111.133 -179.196 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -87.19 -19.49 28.33 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.504 0.927 . . . . 25.0 113.504 -173.814 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.44 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 64.1 m -144.31 178.25 8.05 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -179.886 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.78 108.22 20.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.289 -1.004 . . . . 25.0 108.289 -176.86 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -83.83 143.85 29.66 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 174.933 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.2 p -79.77 170.3 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.172 -0.33 . . . . 25.0 110.163 -176.537 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.7 -28.09 68.38 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 120.612 0.244 . . . . 25.0 111.634 178.665 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.46 -39.07 74.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.257 0.551 . . . . 25.0 109.719 179.294 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -68.25 -37.49 80.81 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 177.404 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.36 -36.66 80.83 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.825 176.214 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -63.85 -14.19 51.09 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 178.765 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -64.37 -26.8 68.63 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.679 -0.638 . . . . 25.0 111.336 173.276 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -72.37 -11.81 60.85 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.356 -0.215 . . . . 25.0 111.47 178.734 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.0 m -67.37 143.09 56.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.334 -0.988 . . . . 25.0 108.334 179.605 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 t30 . . . . . 0 C--O 1.209 -1.034 0 CA-C-O 124.39 2.043 . . . . 25.0 113.413 -178.205 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.4 t80 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -84.53 142.12 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 -178.756 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -79.57 135.7 36.67 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.002 -0.679 . . . . 25.0 110.172 178.557 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -160.14 148.31 16.82 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 104.243 -2.503 . . . . 25.0 104.243 169.671 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.6 m-70 -71.56 140.75 49.97 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.659 -1.237 . . . . 25.0 107.659 171.391 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.28 105.44 12.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -177.237 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 t -139.97 152.32 46.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.374 -0.972 . . . . 25.0 108.374 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.24 -140.19 48.09 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.64 -0.79 . . . . 25.0 111.157 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -59.55 -29.48 67.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -35.02 76.76 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.999 -0.438 . . . . 25.0 111.065 179.762 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.07 -45.38 81.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 178.852 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.15 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.008 0.432 . . . . 25.0 110.827 -179.405 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.28 -36.3 83.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.951 0.405 . . . . 25.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.36 70.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.976 0.417 . . . . 25.0 109.882 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.44 -32.61 74.1 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.969 0.729 . . . . 25.0 112.969 -177.225 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -58.42 -42.86 88.2 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.731 -0.388 . . . . 25.0 110.311 175.718 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.87 -45.56 60.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 179.538 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -69.85 -39.46 77.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-O 121.49 0.662 . . . . 25.0 111.575 -173.239 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -88.67 -23.84 22.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.057 -0.52 . . . . 25.0 111.526 -179.456 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.85 -150.92 51.94 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.007 -1.092 . . . . 25.0 111.316 -177.129 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.35 -6.4 24.1 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.672 1.36 . . . . 25.0 114.672 -178.566 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -66.39 -23.61 66.35 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -177.993 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.59 152.62 13.61 Favored Glycine 0 C--O 1.228 -0.267 0 CA-C-O 121.831 0.684 . . . . 25.0 112.824 179.131 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -151.25 174.38 13.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 -174.106 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -126.81 164.3 21.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 178.771 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--N 1.321 -0.641 0 N-CA-C 106.526 -1.657 . . . . 25.0 106.526 177.752 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 120.978 0.418 . . . . 25.0 111.232 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -71.74 -28.73 63.86 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.515 -0.74 . . . . 25.0 110.539 -179.407 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -56.46 -36.33 68.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.968 0.413 . . . . 25.0 111.065 -178.973 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.1 m -100.8 -11.96 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.272 0.841 . . . . 25.0 113.272 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t -95.65 -45.36 7.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -176.433 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 t -75.49 -18.96 59.68 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.171 0.51 . . . . 25.0 111.368 -175.235 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.6 t -150.08 -168.98 3.26 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.5 -1.667 . . . . 25.0 106.5 177.434 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' B' ' 3' ' ' ASN . 33.3 mt -106.87 101.02 11.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.196 0.522 . . . . 25.0 109.691 -172.215 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 p -77.14 150.41 35.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 177.684 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.4 p -87.33 169.71 12.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.566 -0.288 . . . . 25.0 110.362 -177.853 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.35 -27.97 67.8 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.952 0.406 . . . . 25.0 111.289 177.085 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -68.5 -36.37 78.81 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 121.471 0.653 . . . . 25.0 110.354 179.08 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -71.03 -38.18 72.58 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 177.201 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.52 -33.24 73.49 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 112.477 0.547 . . . . 25.0 112.477 178.48 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -55.68 -27.79 52.07 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.234 0.827 . . . . 25.0 113.234 177.84 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.01 -26.99 67.79 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.813 0.671 . . . . 25.0 112.813 178.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -80.06 -8.28 59.3 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.743 0.417 . . . . 25.0 111.281 -175.681 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.7 m -73.57 150.45 41.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.909 0.861 . . . . 25.0 111.455 -174.71 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.207 -1.155 0 CA-C-O 123.176 1.465 . . . . 25.0 112.487 -179.381 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.9 t80 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.79 139.44 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 -178.782 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.457 ' HB2' HD13 ' A' ' 10' ' ' ILE . 8.6 p30 -80.92 137.86 36.13 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.407 0.622 . . . . 25.0 110.037 179.137 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -159.94 146.59 16.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.477 -2.046 . . . . 25.0 105.477 173.375 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.503 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 83.6 m-70 -69.06 140.5 54.89 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 105.97 -1.863 . . . . 25.0 105.97 167.589 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 85.5 mt -120.3 105.31 10.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.287 0.565 . . . . 25.0 111.254 -174.668 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 18.1 m -126.25 145.16 50.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.17 -132.47 50.91 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.572 -0.823 . . . . 25.0 113.294 176.485 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -27.27 65.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -62.98 -40.69 98.5 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.589 -0.694 . . . . 25.0 109.651 177.294 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.28 -42.78 87.93 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.62 -45.51 94.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.032 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -66.62 -33.63 76.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.883 -0.511 . . . . 25.0 111.67 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.41 73.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 179.507 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 mt -66.49 -31.05 71.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -177.697 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -57.28 -41.63 80.1 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.751 -0.38 . . . . 25.0 109.998 175.778 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -72.06 -44.8 62.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.96 -40.55 68.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.45 . . . . 25.0 110.767 -173.529 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -84.74 -22.93 29.5 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.591 -0.444 . . . . 25.0 111.949 -178.714 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.19 -140.16 48.17 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.022 -1.085 . . . . 25.0 111.771 -177.78 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -67.86 -10.05 49.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -177.965 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.24 -17.93 62.47 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.076 -0.39 . . . . 25.0 111.856 -179.409 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.0 177.56 29.27 Favored Glycine 0 N--CA 1.452 -0.284 0 N-CA-C 110.794 -0.923 . . . . 25.0 110.794 -177.161 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -161.46 177.8 9.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 -177.076 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -129.8 162.85 27.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.323 -0.578 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 179.424 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 121.267 0.556 . . . . 25.0 111.056 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -68.65 -31.25 70.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.409 -0.36 . . . . 25.0 111.424 -177.182 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -56.53 -38.79 72.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.462 . . . . 25.0 110.526 -179.149 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -97.19 -21.83 17.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.825 0.676 . . . . 25.0 112.825 -178.867 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -87.56 -47.1 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -176.236 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -84.99 -17.75 36.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.376 -0.53 . . . . 25.0 110.921 -176.673 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.437 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 27.6 p -146.0 176.99 9.29 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 -178.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mm -89.21 131.19 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 -175.89 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -114.44 151.74 32.7 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.138 -1.801 . . . . 25.0 106.138 173.886 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -85.81 169.08 13.69 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -177.836 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.44 -28.12 69.58 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 120.738 0.304 . . . . 25.0 110.974 178.336 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -68.51 -37.21 79.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.466 0.65 . . . . 25.0 110.193 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -69.18 -33.61 73.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.284 176.645 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.53 -34.2 77.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.273 -0.422 . . . . 25.0 111.554 176.823 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -56.76 -30.37 63.53 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.86 -0.525 . . . . 25.0 112.1 178.204 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.32 -26.96 68.15 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -179.641 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -68.02 -23.78 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.145 -0.347 . . . . 25.0 110.576 -178.49 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m -84.89 52.97 2.56 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.561 0.696 . . . . 25.0 110.339 179.414 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.215 -0.756 0 CA-C-O 124.718 2.199 . . . . 25.0 111.956 -178.512 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.9 t -109.14 130.83 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 107.874 -1.158 . . . . 25.0 107.874 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -72.8 129.22 37.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.621 0.724 . . . . 25.0 110.432 178.47 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -160.3 145.82 15.05 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 104.197 -2.52 . . . . 25.0 104.197 174.447 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 75.9 m-70 -64.57 141.68 58.69 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 172.847 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.11 108.21 14.42 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 123.208 0.603 . . . . 25.0 111.388 -176.262 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 m -127.83 149.37 50.31 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.323 -0.991 . . . . 25.0 108.323 177.813 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.04 -136.08 48.62 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.725 -0.75 . . . . 25.0 113.158 177.768 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -26.46 65.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.822 1.045 . . . . 25.0 113.822 179.7 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -32.61 73.73 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.504 -0.747 . . . . 25.0 110.327 178.144 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.41 -40.71 73.7 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 120.844 0.354 . . . . 25.0 110.205 178.109 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.07 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.108 0.48 . . . . 25.0 110.303 178.71 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -69.51 -27.27 65.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.768 -0.582 . . . . 25.0 112.273 -178.873 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.76 -42.05 74.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 175.878 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.27 -33.44 75.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.266 -0.425 . . . . 25.0 111.913 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -55.12 -43.98 74.57 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 120.897 0.38 . . . . 25.0 110.151 175.13 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -71.92 -42.83 66.23 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -179.041 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -71.63 -43.91 70.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 25.0 111.653 -173.435 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.68 -15.99 33.46 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.739 -0.784 . . . . 25.0 111.233 179.791 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.24 -150.3 50.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.532 -0.842 . . . . 25.0 113.376 174.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -67.82 -6.39 21.15 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -178.4 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -70.18 -20.8 63.1 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.017 -0.427 . . . . 25.0 110.441 178.176 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.59 171.85 48.5 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.32 -0.712 . . . . 25.0 111.32 -178.363 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -166.37 177.74 6.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.977 -2.231 . . . . 25.0 104.977 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -137.51 164.03 29.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 171.464 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 t80 . . . . . 0 C--N 1.321 -0.654 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 177.391 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -66.48 -34.2 77.4 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 121.396 -0.815 . . . . 25.0 111.49 -176.365 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -58.84 -32.0 69.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.378 0.423 . . . . 25.0 111.88 -176.12 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.6 m -99.94 -26.24 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 178.013 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.7 t -75.0 -48.37 24.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -177.055 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -88.09 -18.95 27.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 -175.063 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.401 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 21.8 p -144.29 174.12 11.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.25 -0.281 . . . . 25.0 111.038 -175.842 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.1 mm -80.8 135.73 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.471 -1.678 . . . . 25.0 106.471 -174.956 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 p -129.98 156.53 44.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 175.534 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -110.72 173.8 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.953 -0.388 . . . . 25.0 109.953 -175.515 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.38 -28.65 67.08 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 179.382 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -68.95 -36.73 78.28 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 121.478 0.656 . . . . 25.0 110.085 179.441 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -74.76 -33.8 62.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.291 177.164 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.48 -32.06 73.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.53 . . . . 25.0 111.365 177.28 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.61 -24.34 55.88 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 177.055 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -68.13 -26.98 66.06 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 178.664 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.48 -26.0 59.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 179.454 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.68 128.71 36.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -179.315 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.209 -1.028 0 CA-C-O 122.757 1.265 . . . . 25.0 112.566 -175.85 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.995 -0.526 . . . . 25.0 109.641 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.7 p -138.16 137.78 43.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 106.181 -1.785 . . . . 25.0 106.181 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -75.83 127.41 32.95 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.24 0.543 . . . . 25.0 110.717 -178.001 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -160.27 153.06 21.27 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 173.264 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 65.7 m-70 -66.89 139.83 57.75 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 105.59 -2.004 . . . . 25.0 105.59 169.765 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -120.33 110.97 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.403 -0.962 . . . . 25.0 108.403 -176.553 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -146.6 161.94 39.47 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 -178.067 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.31 -142.84 48.28 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 110.016 -1.234 . . . . 25.0 110.016 -177.943 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.28 -31.73 69.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -60.9 -34.25 74.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.903 -0.498 . . . . 25.0 111.736 -179.049 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -69.35 -48.53 61.05 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.32 -0.552 . . . . 25.0 110.834 -179.384 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.1 -32.82 57.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 120.22 -0.592 . . . . 25.0 110.262 -177.932 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.2 -40.32 94.04 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.986 -0.446 . . . . 25.0 110.479 177.292 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.34 84.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.733 0.301 . . . . 25.0 110.231 179.443 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -65.39 -31.29 72.31 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 -178.929 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -61.04 -37.98 84.5 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.381 -0.527 . . . . 25.0 110.185 176.03 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.88 -43.15 65.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.1 t -74.6 -42.17 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.002 0.429 . . . . 25.0 111.051 -174.04 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 90.5 m -75.15 -28.42 60.12 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.523 -0.471 . . . . 25.0 109.929 177.868 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.94 -143.54 48.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.336 -0.935 . . . . 25.0 111.419 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.81 -6.41 26.66 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.169 1.174 . . . . 25.0 114.169 -179.077 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -68.72 -27.77 66.24 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.119 0.418 . . . . 25.0 110.991 178.943 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.52 171.74 36.85 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.631 -0.988 . . . . 25.0 110.631 -176.062 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -169.8 176.08 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 -178.344 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -132.22 159.82 37.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.177 -2.157 . . . . 25.0 105.177 170.298 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.1 t80 . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -178.074 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 121.446 0.641 . . . . 25.0 109.548 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -63.54 -43.44 97.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 25.0 110.379 178.632 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -60.61 -43.04 97.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.851 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.3 m -73.94 -26.76 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.465 179.62 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.08 -49.3 29.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 25.0 111.044 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -87.08 -25.27 24.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -174.17 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -132.43 -178.21 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.75 -0.593 . . . . 25.0 110.538 -178.346 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mm -73.41 120.64 22.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.756 0.789 . . . . 25.0 109.535 -170.232 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.13 85.29 6.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.197 -0.911 . . . . 25.0 109.02 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 m -63.54 159.34 18.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.124 179.608 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.0 -27.99 62.06 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -179.766 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -67.57 -36.55 81.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.279 0.562 . . . . 25.0 111.12 178.887 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -68.63 -40.22 80.4 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 177.674 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.32 -36.96 85.44 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.506 -0.77 . . . . 25.0 112.436 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -58.33 -25.05 61.48 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -179.956 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -66.8 -26.89 67.16 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.992 -0.443 . . . . 25.0 112.155 178.858 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -79.44 -8.16 58.92 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.511 0.325 . . . . 25.0 111.605 -178.956 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.55 147.66 45.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 122.339 1.066 . . . . 25.0 111.52 -173.892 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.3 t30 . . . . . 0 C--O 1.214 -0.775 0 CA-C-O 124.832 2.253 . . . . 25.0 111.206 178.043 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.2 t80 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 119.033 -0.508 . . . . 25.0 109.756 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -109.58 122.57 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -179.846 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -75.34 128.3 35.09 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.036 0.446 . . . . 25.0 111.313 -177.705 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -160.19 153.36 21.84 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 104.876 -2.268 . . . . 25.0 104.876 173.368 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -68.43 142.76 55.29 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.574 -1.639 . . . . 25.0 106.574 170.511 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.2 110.77 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -176.649 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -133.44 -39.89 0.9 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.608 1.336 . . . . 25.0 114.608 -175.794 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.65 -143.39 9.22 Favored Glycine 0 N--CA 1.457 0.044 0 N-CA-C 110.783 -0.927 . . . . 25.0 110.783 178.589 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -54.95 -26.66 37.89 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.89 0.476 . . . . 25.0 112.188 177.264 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -52.83 -37.43 60.06 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.897 0.702 . . . . 25.0 112.897 176.941 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.9 tp -67.12 -43.8 81.51 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.918 0.389 . . . . 25.0 110.181 -177.066 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.43 -40.95 83.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.189 0.518 . . . . 25.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.68 -34.23 77.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 25.0 110.992 -179.324 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.01 -32.43 65.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.981 0.419 . . . . 25.0 110.499 -179.43 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.39 -30.27 70.61 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.357 0.503 . . . . 25.0 112.357 -178.369 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -60.72 -37.73 82.7 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.678 -0.409 . . . . 25.0 109.98 175.677 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.4 mt -71.84 -47.14 55.17 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -76.15 -41.32 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.998 -0.547 . . . . 25.0 111.197 -171.471 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -86.06 -10.9 54.14 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.074 -0.251 . . . . 25.0 111.561 -179.444 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.1 -137.53 23.38 Favored Glycine 0 CA--C 1.519 0.321 0 CA-C-O 122.395 0.997 . . . . 25.0 114.54 176.436 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -72.93 -6.27 44.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.589 1.329 . . . . 25.0 114.589 -178.369 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.6 -18.79 50.84 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.801 -0.562 . . . . 25.0 110.509 -177.326 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.64 172.74 48.58 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.899 -0.88 . . . . 25.0 110.899 -178.687 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -156.76 174.02 16.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -177.208 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -131.08 160.94 33.18 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.435 -1.691 . . . . 25.0 106.435 176.385 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.4 t80 . . . . . 0 C--N 1.32 -0.684 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 179.342 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 119.799 -0.143 . . . . 25.0 110.779 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -70.73 -43.2 69.4 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.405 -0.809 . . . . 25.0 108.998 176.366 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -58.4 -38.35 77.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.35 -0.386 . . . . 25.0 111.287 -179.414 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.0 m -80.66 -33.52 35.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 177.697 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.7 t -73.81 -54.39 8.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.864 0.32 . . . . 25.0 111.864 -176.156 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -88.02 -18.72 28.36 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -174.154 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -137.93 -176.53 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -177.859 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.7 mm -72.34 122.78 25.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.756 0.789 . . . . 25.0 112.225 -166.22 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 t -92.8 96.77 10.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.68 -1.23 . . . . 25.0 107.68 176.625 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.5 p -75.68 167.06 22.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.46 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -60.92 -27.86 68.51 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 122.111 -0.368 . . . . 25.0 111.011 178.775 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -68.98 -37.7 78.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.494 0.664 . . . . 25.0 110.926 178.913 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -67.52 -38.83 84.83 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 176.593 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.51 -36.96 85.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.203 -0.31 . . . . 25.0 111.589 177.86 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.78 -26.22 67.96 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 176.899 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.98 -26.78 63.3 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.091 0.404 . . . . 25.0 112.091 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -79.97 -12.37 59.72 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.143 0.497 . . . . 25.0 110.738 177.776 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.38 147.82 49.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.441 0.639 . . . . 25.0 110.641 -171.981 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.5 t30 . . . . . 0 C--O 1.206 -1.195 0 CA-C-O 124.313 2.006 . . . . 25.0 113.017 -178.849 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 119.015 -0.517 . . . . 25.0 109.794 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.0 p -133.36 143.58 38.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 -179.441 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.04 140.39 52.82 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.273 0.558 . . . . 25.0 111.342 -177.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -160.19 150.78 18.66 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 106.371 -1.715 . . . . 25.0 106.371 172.681 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -70.12 142.25 52.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.46 -2.052 . . . . 25.0 105.46 166.911 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -136.38 118.76 15.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.205 0.526 . . . . 25.0 111.306 -176.594 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.39 158.98 43.2 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 -178.727 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.59 -144.7 47.76 Favored Glycine 0 C--O 1.229 -0.187 0 C-N-CA 120.831 -0.7 . . . . 25.0 112.532 179.25 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -27.62 66.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 179.5 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.68 -36.9 84.4 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.924 -0.485 . . . . 25.0 110.475 178.543 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.72 -44.03 82.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 179.248 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.36 -42.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.272 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.99 -32.66 74.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.821 -0.55 . . . . 25.0 111.578 179.718 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.82 68.34 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -65.56 -32.08 73.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.942 0.349 . . . . 25.0 111.942 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -62.1 -35.18 77.94 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.531 176.248 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.82 -42.95 66.38 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 179.25 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -75.3 -40.86 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.244 0.545 . . . . 25.0 111.069 -173.96 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.7 m -83.27 -22.18 33.09 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.8 -0.36 . . . . 25.0 110.972 178.868 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.1 -150.5 50.38 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 109.81 -1.316 . . . . 25.0 109.81 -176.468 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.75 -6.46 15.95 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.442 1.275 . . . . 25.0 114.442 179.395 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -72.25 -22.03 61.29 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 122.122 -0.361 . . . . 25.0 111.637 -178.686 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.24 176.08 48.11 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-O 121.898 0.721 . . . . 25.0 114.363 178.332 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -161.13 179.78 8.12 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.873 -2.269 . . . . 25.0 104.873 -177.107 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -127.44 158.72 36.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 177.002 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.2 t80 . . . . . 0 C--N 1.322 -0.595 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 179.413 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.218 -0.555 0 N-CA-C 110.459 -0.2 . . . . 25.0 110.459 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -65.64 -43.94 87.91 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.416 -0.802 . . . . 25.0 108.848 177.644 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.79 -37.14 78.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.774 -178.338 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.5 m -83.03 -28.74 29.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 179.456 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.0 m -77.78 -48.19 17.18 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.554 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -87.96 -18.08 29.87 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -176.204 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.437 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.7 t -137.12 -169.34 2.47 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 107.253 -1.388 . . . . 25.0 107.253 178.942 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -110.45 118.5 57.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 119.004 0.82 . . . . 25.0 109.936 -175.619 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 m -82.02 131.83 35.25 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.979 -0.748 . . . . 25.0 108.979 175.282 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.5 p -75.39 168.25 20.36 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.41 -1.329 . . . . 25.0 107.41 175.322 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.11 -32.32 67.99 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 111.856 0.317 . . . . 25.0 111.856 -179.704 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -66.82 -38.74 87.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 121.355 0.598 . . . . 25.0 111.368 179.806 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -69.02 -39.37 79.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 177.459 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.47 -33.95 76.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.033 -0.53 . . . . 25.0 112.129 179.502 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.65 -22.01 31.48 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.598 0.962 . . . . 25.0 113.598 178.012 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -65.49 -27.02 68.18 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.734 -0.603 . . . . 25.0 112.417 177.641 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -76.96 -11.44 59.81 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.285 0.564 . . . . 25.0 110.371 177.934 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.75 101.67 14.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.196 0.522 . . . . 25.0 110.382 -173.632 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 126.526 3.06 . . . . 25.0 111.917 -178.052 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.17 132.51 58.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 105.562 -2.014 . . . . 25.0 105.562 178.569 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.08 127.0 31.79 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 120.063 -0.655 . . . . 25.0 110.912 -176.556 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -160.18 150.44 18.4 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 102.963 -2.976 . . . . 25.0 102.963 173.644 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.0 m-70 -68.33 138.99 55.87 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 177.517 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.07 105.33 11.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.304 0.573 . . . . 25.0 111.444 -172.846 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.3 153.41 43.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 178.194 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.76 -134.58 51.17 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.487 -0.863 . . . . 25.0 111.738 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.4 p -60.59 -30.22 69.69 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 179.526 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -65.35 -32.24 73.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.702 -0.624 . . . . 25.0 111.798 179.586 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -68.61 -42.05 78.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 177.983 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.67 -42.46 96.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.075 -0.511 . . . . 25.0 110.444 178.478 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.27 -35.24 79.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.113 0.482 . . . . 25.0 111.051 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.37 -39.38 65.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.938 0.399 . . . . 25.0 110.059 179.493 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.08 -30.79 71.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -178.902 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -57.84 -39.73 78.39 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.89 -0.324 . . . . 25.0 110.848 175.075 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.8 mt -71.98 -41.74 67.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.3 t -74.14 -41.91 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.127 0.489 . . . . 25.0 111.243 -174.05 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.4 m -82.32 -22.11 35.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.535 -0.302 . . . . 25.0 111.198 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.09 -141.36 47.27 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.133 -1.032 . . . . 25.0 110.994 -178.46 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.2 -11.99 61.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -177.324 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -74.58 -16.29 60.81 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.955 0.798 . . . . 25.0 113.137 -175.866 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.17 173.81 46.49 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 121.165 -0.54 . . . . 25.0 113.0 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -167.15 -179.37 4.55 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 -177.833 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -137.12 164.35 28.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 174.771 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.5 t80 . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 176.704 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 121.018 0.437 . . . . 25.0 110.134 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -65.49 -45.32 84.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.097 0.475 . . . . 25.0 109.818 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -63.25 -40.65 98.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.635 -0.711 . . . . 25.0 110.698 -178.427 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 m -71.54 -31.83 67.48 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.743 0.275 . . . . 25.0 111.743 179.1 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -70.49 -49.96 43.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.9 0.381 . . . . 25.0 110.824 -178.867 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -87.97 -25.2 23.28 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.192 1.182 . . . . 25.0 114.192 -174.264 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.9 p -133.57 -177.22 4.44 Favored 'General case' 0 C--O 1.221 -0.395 0 O-C-N 121.623 -0.673 . . . . 25.0 110.174 -177.351 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.9 mm -71.62 117.54 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.874 0.845 . . . . 25.0 111.01 -167.967 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -88.43 96.06 10.45 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 178.429 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -73.21 167.28 21.5 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.292 -0.632 . . . . 25.0 109.292 -178.322 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.24 -29.79 69.0 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 122.224 -0.298 . . . . 25.0 110.914 178.769 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -67.91 -37.72 82.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.406 0.622 . . . . 25.0 110.933 179.402 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -66.3 -40.07 89.75 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 177.414 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.8 -37.04 85.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.847 0.314 . . . . 25.0 111.847 178.656 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.95 -31.12 70.68 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 122.014 -0.429 . . . . 25.0 111.864 177.088 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.15 -26.96 67.67 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 -179.642 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -71.12 -23.05 62.02 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.049 -0.407 . . . . 25.0 110.299 179.035 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.1 m -85.37 140.01 31.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.812 0.815 . . . . 25.0 109.835 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.213 -0.848 0 CA-C-O 125.08 2.371 . . . . 25.0 111.512 175.179 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.1 t80 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.809 -0.615 . . . . 25.0 109.631 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -136.67 143.69 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 -179.245 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -62.95 128.73 37.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.238 0.458 . . . . 25.0 112.238 -179.121 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -159.87 149.1 17.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 107.397 -1.335 . . . . 25.0 107.397 175.005 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -71.61 142.99 49.96 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 106.198 -1.778 . . . . 25.0 106.198 168.522 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -136.16 117.5 14.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.052 0.453 . . . . 25.0 111.008 -176.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -142.88 158.63 43.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 -178.233 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.12 -139.61 48.27 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.797 -0.716 . . . . 25.0 112.56 178.433 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.1 p -60.24 -29.81 69.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 179.568 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -63.86 -34.38 77.82 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.793 -0.567 . . . . 25.0 111.101 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.8 tp -66.57 -43.68 84.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 179.417 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.98 -42.26 91.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.711 -179.478 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -65.66 -30.53 71.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.842 -0.536 . . . . 25.0 111.359 179.495 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -33.25 65.45 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 122.064 -0.397 . . . . 25.0 110.023 178.415 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -66.33 -31.91 72.98 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.007 -0.277 . . . . 25.0 111.163 178.619 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -60.79 -36.84 80.01 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 120.887 -0.325 . . . . 25.0 110.266 174.672 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.81 -44.33 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.712 0.634 . . . . 25.0 112.712 179.897 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.3 t -79.31 -40.2 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.972 -172.216 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -17.27 43.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 177.227 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.31 -157.66 51.47 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 119.965 -1.112 . . . . 25.0 111.653 179.397 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.47 -6.46 25.11 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.416 1.636 . . . . 25.0 115.416 -177.146 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -72.13 -15.33 61.98 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.213 0.915 . . . . 25.0 111.419 -179.373 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.8 176.37 50.16 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 111.111 -0.796 . . . . 25.0 111.111 -178.497 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -163.03 179.29 7.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 104.312 -2.477 . . . . 25.0 104.312 -178.239 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -131.67 162.28 30.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 176.201 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.4 t80 . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 176.98 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 120.995 0.426 . . . . 25.0 111.723 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -63.03 -33.11 74.73 Favored 'General case' 0 C--O 1.221 -0.428 0 O-C-N 122.006 -0.434 . . . . 25.0 111.229 -176.269 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -59.6 -33.45 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.275 -0.42 . . . . 25.0 111.403 -178.845 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -94.24 -23.43 17.87 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.478 -0.489 . . . . 25.0 111.656 179.348 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.84 -48.25 15.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -177.87 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -87.28 -22.82 24.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.837 0.351 . . . . 25.0 111.605 -173.612 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.492 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 78.4 p -143.86 -173.19 3.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -91.92 118.01 36.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.757 -0.589 . . . . 25.0 112.397 -169.839 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.8 113.14 20.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 167.197 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.7 p -73.91 169.45 17.41 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.029 -1.471 . . . . 25.0 107.029 176.591 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.99 -28.14 66.06 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 111.947 0.351 . . . . 25.0 111.947 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -68.85 -41.29 78.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.897 -0.502 . . . . 25.0 110.467 179.48 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -66.55 -40.97 89.32 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 175.807 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.18 -37.03 85.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -179.528 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -62.81 -31.56 72.57 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.445 -0.784 . . . . 25.0 111.758 175.008 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -26.74 68.8 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 178.066 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -70.99 -20.7 62.39 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.737 -0.602 . . . . 25.0 111.304 176.554 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 p -113.74 43.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.727 1.251 . . . . 25.0 110.435 177.379 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--O 1.216 -0.676 0 CA-C-O 124.693 2.187 . . . . 25.0 111.318 175.11 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.8 t80 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.908 -0.567 . . . . 25.0 109.782 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -136.9 143.59 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 -178.508 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -66.25 136.04 55.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.265 0.555 . . . . 25.0 110.569 -178.362 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -160.18 143.86 14.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 172.785 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.0 m-70 -70.48 146.42 50.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.306 -1.738 . . . . 25.0 106.306 167.91 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.5 mt -135.14 122.66 21.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 -173.53 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -133.72 158.1 44.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 177.161 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.98 -133.43 41.08 Favored Glycine 0 C--O 1.231 -0.04 0 C-N-CA 121.2 -0.524 . . . . 25.0 113.903 174.062 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.0 p -58.43 -31.98 68.25 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -179.392 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -64.58 -36.23 83.56 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.325 0.511 . . . . 25.0 111.425 -179.673 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.0 tp -67.0 -40.97 87.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.268 0.556 . . . . 25.0 109.64 -179.886 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.9 -42.69 89.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.319 178.699 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -62.94 -36.63 84.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.431 . . . . 25.0 110.653 179.018 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.52 -38.13 77.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.275 -0.42 . . . . 25.0 110.333 -179.277 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.59 -32.59 74.11 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 -178.449 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -59.28 -41.69 89.53 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.183 0.447 . . . . 25.0 110.302 175.921 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -71.98 -41.57 67.51 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -177.866 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -78.89 -41.53 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.092 0.472 . . . . 25.0 111.776 -173.408 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.44 -17.3 49.3 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 179.084 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.87 -153.51 52.96 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-O 121.826 0.681 . . . . 25.0 113.029 175.898 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -11.59 27.09 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 -178.711 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -65.71 -24.45 66.99 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 122.192 -0.317 . . . . 25.0 110.562 177.279 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.29 -172.6 55.23 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.008 -1.637 . . . . 25.0 109.008 -175.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -161.7 178.68 8.78 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 -178.925 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -140.68 168.82 18.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 104.066 -2.568 . . . . 25.0 104.066 178.266 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 106.797 -1.557 . . . . 25.0 106.797 175.795 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 121.358 0.599 . . . . 25.0 111.809 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -63.89 -35.52 80.92 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.127 -0.358 . . . . 25.0 111.212 -179.343 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -62.71 -40.91 98.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 25.0 110.774 -179.543 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -82.46 -12.41 57.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.324 0.491 . . . . 25.0 112.324 -177.548 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 m -82.68 -45.04 14.97 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 174.227 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 t -82.89 -24.79 33.0 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -177.345 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.474 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.2 t -136.94 177.37 7.92 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.811 -0.556 . . . . 25.0 110.355 179.158 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.8 mm -70.15 -43.41 78.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 115.519 1.674 . . . . 25.0 115.519 -162.091 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.1 m 56.04 82.19 0.11 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.944 0.878 . . . . 25.0 111.259 -171.086 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -66.33 168.57 8.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.664 -1.235 . . . . 25.0 107.664 174.546 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.17 -28.77 42.58 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -177.851 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -68.74 -37.9 79.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.975 0.417 . . . . 25.0 111.011 179.234 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -73.28 -35.93 66.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.423 0.63 . . . . 25.0 109.764 176.561 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.06 -32.12 73.42 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.777 -0.647 . . . . 25.0 111.688 178.899 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.13 -13.91 14.38 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 176.218 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -65.06 -27.41 68.76 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.853 -0.53 . . . . 25.0 110.921 174.39 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -82.81 -5.33 58.9 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.294 0.637 . . . . 25.0 111.952 -179.789 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.28 141.84 47.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.91 0.862 . . . . 25.0 112.098 -171.509 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 t30 . . . . . 0 C--O 1.207 -1.15 0 CA-C-O 124.529 2.109 . . . . 25.0 112.66 178.793 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 118.765 -0.636 . . . . 25.0 109.673 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.33 143.65 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -74.54 126.26 30.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.261 0.553 . . . . 25.0 111.926 179.617 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -158.98 150.04 20.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 103.826 -2.657 . . . . 25.0 103.826 170.188 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.474 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.6 m-70 -69.69 146.5 51.53 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 171.285 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 mt -132.36 120.88 22.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -171.897 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -129.36 157.04 43.03 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.497 -0.32 . . . . 25.0 110.271 176.938 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.31 -133.87 45.72 Favored Glycine 0 C--O 1.226 -0.348 0 C-N-CA 120.927 -0.654 . . . . 25.0 113.799 172.908 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.2 p -60.41 -29.87 69.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -179.351 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -62.8 -41.12 99.15 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.688 -0.633 . . . . 25.0 109.461 177.418 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -68.86 -43.29 75.71 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.858 -0.423 . . . . 25.0 109.858 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.93 -45.93 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.587 0.232 . . . . 25.0 111.361 179.605 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.25 -28.57 65.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.42 -0.8 . . . . 25.0 111.659 -179.222 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.92 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 176.19 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -65.46 -33.96 77.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.28 0.474 . . . . 25.0 112.28 -179.634 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -57.47 -40.33 78.33 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 120.797 0.332 . . . . 25.0 110.221 175.461 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.7 mt -71.84 -43.77 64.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -179.437 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.34 -43.37 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.109 0.481 . . . . 25.0 110.573 -174.257 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.6 m -84.56 -24.51 29.23 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -178.951 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.86 -138.05 48.97 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.085 -1.206 . . . . 25.0 110.085 -176.426 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -68.35 -6.84 26.56 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.979 1.474 . . . . 25.0 114.979 -179.337 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -70.26 -24.63 63.09 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.657 -0.652 . . . . 25.0 112.277 -178.6 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.89 167.14 36.94 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 110.794 -0.923 . . . . 25.0 110.794 -176.284 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -158.6 174.83 14.46 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -176.791 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -126.4 161.77 27.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.719 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 -178.338 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 C--O 1.217 -0.649 0 CA-C-O 121.348 0.594 . . . . 25.0 109.673 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.98 -39.9 96.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.984 -0.553 . . . . 25.0 109.746 178.547 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.44 -39.41 93.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.546 -0.297 . . . . 25.0 111.08 179.372 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 66.2 m -80.22 -13.26 59.37 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 178.265 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.04 -45.28 14.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.925 0.393 . . . . 25.0 110.057 175.229 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 t -84.74 -22.29 29.72 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.184 0.516 . . . . 25.0 111.941 -177.393 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.475 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 65.2 m -136.81 176.36 8.78 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 121.531 -0.73 . . . . 25.0 109.684 179.265 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.4 mm -71.83 -45.56 64.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 115.564 1.69 . . . . 25.0 115.564 -163.624 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.3 m 60.99 98.65 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 122.012 0.91 . . . . 25.0 111.374 -169.374 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.7 p -67.18 167.08 12.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 176.655 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.13 -33.73 65.43 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 122.156 -0.34 . . . . 25.0 111.81 -179.359 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.87 -37.68 86.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.454 0.645 . . . . 25.0 111.829 179.04 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -68.51 -38.78 81.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 177.262 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.76 -32.13 73.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.784 -0.643 . . . . 25.0 112.647 179.506 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -55.64 -28.94 58.18 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.402 0.547 . . . . 25.0 112.35 177.675 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -59.53 -27.91 66.6 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.889 0.7 . . . . 25.0 112.889 178.787 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -64.25 -23.08 67.18 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 122.356 -0.215 . . . . 25.0 110.706 178.744 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.8 p -128.36 35.7 4.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 177.283 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 N--CA 1.481 1.089 0 C-N-CA 125.364 1.466 . . . . 25.0 113.802 -175.939 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 118.971 -0.537 . . . . 25.0 109.818 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.4 129.78 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 -177.356 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -67.65 124.92 24.6 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.299 0.571 . . . . 25.0 111.383 178.385 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -160.3 149.49 17.38 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 104.083 -2.562 . . . . 25.0 104.083 173.515 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.6 m-70 -70.51 146.73 50.03 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 170.493 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 mt -128.33 113.3 15.43 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -170.523 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.5 m -129.6 157.59 41.66 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 175.705 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.56 -135.16 45.73 Favored Glycine 0 C--O 1.229 -0.164 0 C-N-CA 121.209 -0.519 . . . . 25.0 113.927 174.12 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -30.48 68.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -179.249 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.5 -37.15 86.19 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.717 -0.614 . . . . 25.0 110.33 179.047 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.78 -45.4 78.58 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 121.22 -0.192 . . . . 25.0 111.494 -178.245 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.46 -29.02 26.28 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 C-N-CA 119.792 -0.763 . . . . 25.0 111.426 -178.839 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.04 -32.74 71.02 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.561 -0.712 . . . . 25.0 110.383 175.275 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.79 89.72 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 174.603 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.62 -33.69 76.18 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 179.81 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -58.82 -43.68 90.69 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 175.377 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.94 -42.46 66.62 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -179.799 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -70.9 -47.73 60.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.781 0.289 . . . . 25.0 111.781 -174.567 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -14.33 50.83 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.051 -0.659 . . . . 25.0 109.828 -178.155 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.02 -148.01 49.95 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-O 122.246 0.914 . . . . 25.0 115.038 173.442 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -64.25 -16.2 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.712 1.004 . . . . 25.0 113.712 -176.078 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -22.55 64.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.363 0.265 . . . . 25.0 110.807 178.797 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.77 -176.11 54.79 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.218 -1.553 . . . . 25.0 109.218 -175.882 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -158.8 174.62 14.73 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.566 -2.013 . . . . 25.0 105.566 -178.645 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -126.23 158.74 34.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 175.541 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.8 t80 . . . . . 0 C--N 1.32 -0.7 0 N-CA-C 105.709 -1.96 . . . . 25.0 105.709 -179.992 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 121.485 0.659 . . . . 25.0 112.551 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -62.04 -28.59 69.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -176.27 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.7 -25.97 68.17 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.582 0.215 . . . . 25.0 111.582 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -97.06 -12.9 22.63 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.967 0.413 . . . . 25.0 111.175 176.52 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -92.23 -49.7 6.04 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -175.885 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -73.9 -19.32 60.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 25.0 112.01 -174.047 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.458 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 62.1 p -149.71 -178.08 6.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 -179.455 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.9 mm -86.13 133.82 28.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -176.095 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -116.98 145.38 43.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.464 -1.68 . . . . 25.0 106.464 173.067 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.4 p -94.09 171.5 8.81 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 -177.271 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.96 -28.07 68.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.813 0.339 . . . . 25.0 111.474 178.255 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -67.9 -40.72 83.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.068 0.461 . . . . 25.0 109.876 -179.871 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -70.21 -39.55 75.07 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.572 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -60.17 -35.3 75.04 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 -179.41 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.08 -28.13 62.34 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 119.031 0.832 . . . . 25.0 112.705 178.47 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -65.43 -26.9 68.17 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.115 0.413 . . . . 25.0 112.115 178.092 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -73.53 -12.73 60.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.485 -0.325 . . . . 25.0 111.728 -176.367 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -132.54 168.59 17.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 122.169 0.985 . . . . 25.0 112.368 -173.815 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--O 1.21 -1.012 0 CA-C-O 124.196 1.95 . . . . 25.0 113.557 178.356 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.4 t80 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.808 -0.615 . . . . 25.0 109.761 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.57 134.2 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -177.821 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.92 124.65 24.29 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.23 0.538 . . . . 25.0 111.513 178.094 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -160.17 147.06 16.03 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.801 -1.926 . . . . 25.0 105.801 173.841 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 71.9 m-70 -67.97 143.74 55.48 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.124 -1.065 . . . . 25.0 108.124 170.856 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 37.0 mt -128.78 105.61 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.282 0.233 . . . . 25.0 110.47 -175.117 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -117.33 -6.25 11.27 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.183 1.92 . . . . 25.0 116.183 -173.313 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.26 -126.0 1.11 Allowed Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.775 -0.726 . . . . 25.0 112.194 -176.188 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -28.83 63.14 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.218 0.509 . . . . 25.0 111.567 177.931 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -57.23 -36.93 71.51 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 175.667 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.56 -39.91 80.84 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 -178.264 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.11 -43.28 97.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.106 0.479 . . . . 25.0 109.93 177.68 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.01 -32.73 74.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.047 0.451 . . . . 25.0 110.935 179.326 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.91 -40.44 65.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.857 -0.424 . . . . 25.0 109.857 178.864 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.0 -34.54 78.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.457 -0.338 . . . . 25.0 111.347 -179.256 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -55.12 -45.15 75.53 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.04 0.448 . . . . 25.0 109.953 175.004 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.98 -43.77 64.59 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.517 0.932 . . . . 25.0 113.517 -178.739 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.19 -44.46 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.92 0.39 . . . . 25.0 111.937 -172.376 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -18.79 37.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.925 -0.768 . . . . 25.0 108.925 179.524 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.46 -143.8 46.12 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-O 122.392 0.996 . . . . 25.0 113.907 174.078 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 -10.18 50.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.766 1.395 . . . . 25.0 114.766 -176.833 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -76.76 -8.2 56.85 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.885 0.766 . . . . 25.0 111.131 -179.836 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.79 170.71 44.76 Favored Glycine 0 C--O 1.226 -0.381 0 N-CA-C 110.324 -1.11 . . . . 25.0 110.324 -179.686 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -158.52 171.38 20.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 -177.725 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -133.15 165.96 23.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.512 -2.033 . . . . 25.0 105.512 174.577 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.9 t80 . . . . . 0 C--N 1.321 -0.661 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 179.616 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 121.149 0.499 . . . . 25.0 110.169 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -65.0 -40.49 95.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.366 -0.379 . . . . 25.0 109.992 178.827 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -60.63 -43.37 97.6 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.682 -0.235 . . . . 25.0 110.799 -178.634 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.0 m -75.12 -27.39 59.8 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.008 0.744 . . . . 25.0 113.008 179.386 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -83.36 -51.84 7.06 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -177.22 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -81.94 -19.43 40.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 25.0 111.174 -173.999 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.454 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.0 t -145.72 -175.32 4.69 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.976 -0.453 . . . . 25.0 110.054 179.573 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -87.55 133.46 30.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 -173.729 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.6 p -120.61 137.95 54.16 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 171.993 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.8 p -86.76 175.71 8.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 -175.039 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.38 -32.09 70.97 Favored 'General case' 0 C--O 1.215 -0.728 0 C-N-CA 121.131 -0.228 . . . . 25.0 111.019 177.492 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -67.68 -38.32 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.321 0.581 . . . . 25.0 110.548 179.321 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -67.11 -39.27 86.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 177.282 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.03 -33.41 75.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.802 -0.635 . . . . 25.0 112.601 179.554 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.23 -22.41 52.03 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 177.499 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -63.6 -26.87 68.88 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.422 0.527 . . . . 25.0 112.422 177.799 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -70.53 -29.57 66.08 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.243 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 m -89.37 49.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.151 0.977 . . . . 25.0 108.814 179.496 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.212 -0.91 0 CA-C-O 125.02 2.343 . . . . 25.0 113.62 -173.169 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.1 t80 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -138.28 143.75 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 106.222 -1.77 . . . . 25.0 106.222 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -69.96 133.59 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.708 0.766 . . . . 25.0 111.374 -178.86 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -160.36 155.37 24.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 103.555 -2.758 . . . . 25.0 103.555 172.056 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 72.0 m-70 -69.2 145.31 53.32 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.297 -1.372 . . . . 25.0 107.297 170.11 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.88 113.91 20.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.73 0.3 . . . . 25.0 111.218 -178.298 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 91.8 m -132.45 156.53 46.56 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 175.304 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.72 -129.68 41.76 Favored Glycine 0 CA--C 1.516 0.106 0 C-N-CA 121.067 -0.587 . . . . 25.0 114.095 174.121 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.3 p -59.99 -36.03 76.3 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 179.844 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -62.12 -35.09 77.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.962 -0.461 . . . . 25.0 110.98 -179.876 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.0 tp -68.86 -47.66 65.38 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.81 -0.356 . . . . 25.0 111.48 -179.378 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.54 -31.99 51.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 120.131 -0.628 . . . . 25.0 110.065 -178.155 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.36 -38.48 87.7 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.85 -0.531 . . . . 25.0 110.852 176.667 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.41 90.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.925 -0.31 . . . . 25.0 110.29 179.265 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.28 -34.65 78.15 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 -179.236 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -63.34 -38.56 91.64 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 120.696 -0.402 . . . . 25.0 110.227 177.141 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -71.92 -43.99 64.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 178.856 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.3 t -70.67 -45.57 73.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.146 0.498 . . . . 25.0 111.533 -173.785 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.8 m -94.62 -7.4 41.03 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.362 -176.62 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.15 -162.61 54.15 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-O 122.301 0.945 . . . . 25.0 114.377 172.989 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -68.01 -6.31 21.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.843 -0.678 . . . . 25.0 112.751 -178.815 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -68.58 -22.18 64.47 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.677 0.275 . . . . 25.0 110.318 177.569 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.14 -176.96 51.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.975 -0.631 . . . . 25.0 111.996 179.915 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -167.4 -178.98 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.491 -2.411 . . . . 25.0 104.491 -177.057 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -129.58 161.88 29.51 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.373 -1.343 . . . . 25.0 107.373 173.628 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 179.398 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.22 -0.454 0 N-CA-C 110.41 -0.219 . . . . 25.0 110.41 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mp0 -69.49 -40.6 76.94 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.667 -0.646 . . . . 25.0 109.742 176.677 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -56.87 -44.43 82.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.31 0.381 . . . . 25.0 110.273 -178.347 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.5 m -79.38 -30.06 42.35 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.309 -0.556 . . . . 25.0 111.813 -177.916 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 t -70.65 -50.59 35.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.739 0.304 . . . . 25.0 110.84 -179.274 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -88.06 -19.22 27.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -175.204 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.459 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 53.3 p -140.34 -171.17 3.14 Favored 'General case' 0 C--O 1.223 -0.318 0 O-C-N 121.649 -0.657 . . . . 25.0 110.853 -178.822 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.3 mm -97.67 108.38 21.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.839 -0.538 . . . . 25.0 110.377 -171.607 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 m -79.8 130.21 35.13 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 175.242 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.6 p -79.85 169.2 18.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 175.386 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.41 -30.46 68.47 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 -179.856 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -67.61 -37.29 82.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.444 0.64 . . . . 25.0 111.075 -179.669 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -69.46 -38.41 77.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 177.299 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.37 -33.88 76.88 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 179.092 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.8 -21.0 25.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 178.591 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -66.65 -26.93 67.29 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.746 -0.597 . . . . 25.0 112.368 177.104 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -81.2 -6.05 58.42 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.936 0.398 . . . . 25.0 111.813 178.781 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.76 157.54 37.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.778 0.799 . . . . 25.0 112.578 -170.727 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.7 t30 . . . . . 0 C--O 1.214 -0.808 0 CA-C-O 124.693 2.187 . . . . 25.0 111.568 178.934 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.951 -0.547 . . . . 25.0 109.533 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 81.7 t -131.02 133.08 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 -179.465 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -67.56 125.93 27.74 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.467 0.651 . . . . 25.0 110.141 177.804 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -160.31 143.77 13.78 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 105.955 -1.868 . . . . 25.0 105.955 176.262 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.459 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.6 m-70 -69.45 144.95 53.13 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 170.856 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.5 mt -129.46 105.42 8.09 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.942 -0.392 . . . . 25.0 109.942 -173.738 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.1 -57.51 1.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -176.049 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.15 -138.32 4.91 Favored Glycine 0 C--O 1.227 -0.32 0 N-CA-C 111.761 -0.536 . . . . 25.0 111.761 178.529 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -25.13 13.94 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 179.183 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -56.91 -36.49 70.22 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 175.693 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 tp -65.31 -42.23 93.25 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 -179.177 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.53 -43.17 96.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.231 178.58 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.13 -35.64 80.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.1 0.476 . . . . 25.0 111.023 -179.613 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.98 -38.96 69.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.356 -0.384 . . . . 25.0 110.166 179.915 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 mt -66.43 -28.12 68.36 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -177.927 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -60.71 -36.37 78.64 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.662 -0.415 . . . . 25.0 110.632 174.753 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.03 -43.42 65.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.107 0.479 . . . . 25.0 111.785 178.898 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.92 -42.33 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.896 -0.593 . . . . 25.0 110.999 -173.497 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.2 m -90.49 -13.03 35.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.58 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.1 -136.26 34.59 Favored Glycine 0 CA--C 1.52 0.362 0 CA-C-O 122.402 1.001 . . . . 25.0 113.128 179.185 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -72.46 -10.52 59.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.152 1.168 . . . . 25.0 114.152 -178.542 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.89 -19.32 54.95 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.955 -0.466 . . . . 25.0 111.059 -176.851 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.84 173.93 44.12 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 121.943 0.746 . . . . 25.0 113.674 178.611 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -159.96 176.97 11.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.079 -2.193 . . . . 25.0 105.079 -177.955 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -133.67 165.77 24.15 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 179.179 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 C--N 1.32 -0.685 0 N-CA-C 106.817 -1.549 . . . . 25.0 106.817 175.36 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 121.735 0.779 . . . . 25.0 109.344 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -58.21 -40.52 81.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.142 -0.935 . . . . 25.0 111.387 -178.427 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -39.58 89.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.757 -0.201 . . . . 25.0 111.37 179.808 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -27.01 54.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.319 0.58 . . . . 25.0 111.498 179.409 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.2 m -70.65 -42.48 70.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.35 -0.386 . . . . 25.0 110.655 176.702 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -87.94 -23.49 23.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.952 1.093 . . . . 25.0 113.952 -176.226 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 48.8 m -137.01 158.68 43.91 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 121.26 -0.9 . . . . 25.0 111.357 -178.136 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp -78.48 118.94 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 122.008 -0.433 . . . . 25.0 110.16 -173.848 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.9 m -83.23 128.06 34.17 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 171.132 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.6 p -76.32 169.3 18.48 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.487 -2.042 . . . . 25.0 105.487 173.213 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.11 -30.48 68.14 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 122.062 -0.399 . . . . 25.0 111.302 179.381 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -68.89 -38.99 80.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.089 0.471 . . . . 25.0 111.156 179.395 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.94 -37.3 75.84 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.149 -0.686 . . . . 25.0 109.149 177.872 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.73 -31.98 73.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.736 -0.665 . . . . 25.0 112.335 177.43 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.36 -24.07 58.76 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 177.526 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -63.16 -28.42 70.04 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.593 -0.692 . . . . 25.0 111.607 176.221 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -89.07 -3.65 58.6 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.193 0.597 . . . . 25.0 110.387 -178.869 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 125.95 46.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.643 1.211 . . . . 25.0 113.089 -164.998 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 C--O 1.214 -0.802 0 CA-C-O 122.864 1.316 . . . . 25.0 110.02 179.018 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.9 t80 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.999 -0.524 . . . . 25.0 109.693 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -138.5 143.68 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 -179.313 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -64.48 126.62 28.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.583 0.706 . . . . 25.0 112.286 -178.995 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -160.17 148.74 17.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 104.578 -2.378 . . . . 25.0 104.578 172.526 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.7 m-70 -70.95 146.22 49.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 172.69 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 108.33 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.25 0.548 . . . . 25.0 111.967 -174.59 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -141.09 154.46 45.94 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 178.118 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.73 -143.69 48.71 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.499 -0.858 . . . . 25.0 111.392 -179.613 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -27.84 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 179.436 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -61.16 -32.0 71.73 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.868 -0.52 . . . . 25.0 111.211 179.203 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.19 -47.98 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.002 -0.279 . . . . 25.0 111.409 -179.743 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 m -71.43 -30.7 40.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.012 -0.675 . . . . 25.0 110.685 -178.168 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.54 -40.2 95.16 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.94 -0.475 . . . . 25.0 110.243 176.662 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.02 85.98 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 178.126 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -66.06 -30.59 71.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -178.626 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -61.42 -36.45 80.37 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.847 -0.341 . . . . 25.0 110.188 174.903 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.84 -40.9 68.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 178.939 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -74.59 -42.51 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.01 0.433 . . . . 25.0 111.534 -174.238 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -15.41 37.52 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.177 -0.609 . . . . 25.0 111.388 -179.657 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.74 -152.25 52.49 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.295 -0.955 . . . . 25.0 111.226 -178.549 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -66.59 -7.34 19.56 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.945 1.091 . . . . 25.0 113.945 -178.289 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -66.03 -26.26 67.44 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 -179.412 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.06 -179.97 51.88 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 108.176 -1.97 . . . . 25.0 108.176 -172.903 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -161.77 -175.83 4.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.7 -1.592 . . . . 25.0 106.7 -175.974 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -126.7 168.71 14.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.147 0.499 . . . . 25.0 109.948 -178.749 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--N 1.323 -0.586 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 178.26 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--O 1.218 -0.566 0 N-CA-C 109.959 -0.385 . . . . 25.0 109.959 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -64.82 -41.44 95.77 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 178.488 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -56.87 -40.04 75.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.472 -179.178 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.74 -10.44 42.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -178.782 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.4 t -91.97 -44.11 9.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.568 0.223 . . . . 25.0 110.856 178.502 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -87.81 -21.64 24.95 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.92 -0.488 . . . . 25.0 110.756 -179.534 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.462 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 50.8 m -130.75 -178.72 4.92 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 175.833 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -77.51 -50.72 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 115.722 1.749 . . . . 25.0 115.722 -164.457 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.8 m 63.09 111.99 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 122.181 0.991 . . . . 25.0 112.191 -167.817 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.1 p -71.69 165.38 24.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.432 -1.321 . . . . 25.0 107.432 175.402 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -56.65 -27.98 59.65 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -179.082 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -68.55 -37.46 79.95 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.21 0.529 . . . . 25.0 111.096 179.165 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -70.97 -34.16 71.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.417 0.627 . . . . 25.0 109.501 177.206 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.92 -32.18 72.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.184 178.391 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.35 -28.04 40.21 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.38 0.536 . . . . 25.0 112.221 178.244 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -59.34 -27.02 65.54 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.564 0.949 . . . . 25.0 113.564 178.681 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -72.49 -14.01 61.56 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 122.112 -0.368 . . . . 25.0 111.909 -179.373 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.5 m -82.64 151.87 26.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 -178.41 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t30 . . . . . 0 C--O 1.213 -0.825 0 CA-C-O 124.553 2.121 . . . . 25.0 112.139 -178.745 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.3 t80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.808 -0.615 . . . . 25.0 109.647 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t -125.79 133.23 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -178.807 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -71.13 128.78 37.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.296 0.569 . . . . 25.0 111.49 178.665 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -159.52 149.27 18.55 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 104.018 -2.586 . . . . 25.0 104.018 172.657 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.462 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.7 m-70 -70.42 144.87 51.38 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 170.882 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.9 mt -125.38 105.35 9.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.226 0.536 . . . . 25.0 112.403 -173.033 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 m -122.73 151.52 41.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 179.111 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.71 -133.65 47.35 Favored Glycine 0 C--O 1.228 -0.268 0 C-N-CA 120.939 -0.648 . . . . 25.0 113.275 176.019 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -29.24 67.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.158 1.17 . . . . 25.0 114.158 -179.121 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -36.41 83.11 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.75 -0.594 . . . . 25.0 110.563 179.502 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.6 tp -66.04 -42.7 89.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 179.286 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.15 -43.08 97.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.066 0.46 . . . . 25.0 110.59 178.771 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.65 -34.93 78.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.891 0.377 . . . . 25.0 110.882 -179.679 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.83 -38.3 73.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.948 -0.389 . . . . 25.0 109.948 -178.917 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.84 -27.98 69.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 -176.675 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -60.47 -42.47 96.3 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.895 -0.409 . . . . 25.0 109.895 174.313 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -71.88 -39.23 69.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.968 0.413 . . . . 25.0 111.783 179.104 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.96 -48.11 85.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 25.0 111.338 -174.647 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.33 -12.01 26.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.091 -0.644 . . . . 25.0 112.71 -177.049 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.65 -145.58 49.93 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.323 -0.941 . . . . 25.0 111.968 178.656 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -66.25 -9.58 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -178.038 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -69.06 -25.46 64.47 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 122.114 -0.366 . . . . 25.0 110.95 178.155 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.88 179.34 51.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.891 -0.671 . . . . 25.0 112.111 -177.901 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -162.98 179.41 7.58 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 104.505 -2.405 . . . . 25.0 104.505 -177.511 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -133.9 160.36 37.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 174.419 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 C--N 1.321 -0.641 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 179.335 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 120.7 0.286 . . . . 25.0 111.211 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -59.92 -41.02 90.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 179.774 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -64.12 -39.26 93.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.647 -177.141 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.3 m -83.44 -12.23 56.63 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 178.757 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -87.66 -47.58 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.861 0.362 . . . . 25.0 110.589 177.148 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -79.93 -22.51 42.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.05 -0.406 . . . . 25.0 111.051 -178.536 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.48 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.6 t -135.05 -173.3 3.28 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 178.876 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.3 mm -84.61 -35.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -166.171 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 m 61.56 -164.94 0.23 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -169.731 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.9 p -155.22 170.61 21.46 Favored 'General case' 0 CA--C 1.509 -0.596 0 N-CA-C 105.287 -2.116 . . . . 25.0 105.287 179.464 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -59.34 -33.44 71.15 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 118.088 0.403 . . . . 25.0 111.248 -179.712 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -66.6 -37.66 85.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.471 0.653 . . . . 25.0 111.48 179.958 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.41 -38.14 77.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 177.356 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.89 -32.14 73.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.632 -0.713 . . . . 25.0 112.664 178.985 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -55.36 -27.84 49.97 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.694 0.628 . . . . 25.0 112.694 177.817 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -61.19 -28.26 69.01 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.891 0.7 . . . . 25.0 112.891 179.114 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -68.56 -19.75 64.5 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.23 -0.294 . . . . 25.0 110.636 -179.938 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.5 p -131.61 41.84 3.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.288 1.042 . . . . 25.0 108.998 178.348 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.7 t30 . . . . . 0 C--O 1.214 -0.782 0 CA-C-O 124.718 2.199 . . . . 25.0 111.979 179.427 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.918 -0.563 . . . . 25.0 109.605 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -138.51 142.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 178.444 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -66.48 128.26 35.51 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.751 0.31 . . . . 25.0 111.592 -176.495 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -160.12 146.79 15.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.448 -2.056 . . . . 25.0 105.448 175.947 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 71.8 m-70 -71.81 145.12 48.87 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 172.189 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 49.2 mt -128.77 105.53 8.31 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 -173.531 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.4 m -115.56 -62.97 1.52 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -179.016 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.96 -131.2 3.99 Favored Glycine 0 C--O 1.225 -0.41 0 CA-C-N 116.145 -0.48 . . . . 25.0 112.849 -177.591 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -25.63 30.12 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 179.189 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -56.69 -39.3 73.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.164 -0.335 . . . . 25.0 111.667 175.881 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.86 -40.79 88.0 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -179.113 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.54 -43.23 98.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.316 178.804 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -66.24 -31.37 72.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.985 -0.447 . . . . 25.0 111.513 179.445 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.39 72.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 177.891 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.49 -32.43 74.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.21 0.448 . . . . 25.0 112.21 -179.881 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -58.1 -39.35 78.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.876 0.37 . . . . 25.0 110.663 175.585 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.79 -44.35 64.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 179.499 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.55 -43.82 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.118 0.485 . . . . 25.0 111.716 -172.533 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.0 m -84.81 -12.8 52.86 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 -178.832 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 51.96 -137.96 31.36 Favored Glycine 0 C--O 1.228 -0.267 0 CA-C-O 122.542 1.079 . . . . 25.0 115.186 174.313 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -70.28 -11.9 61.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -176.806 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.09 -19.77 50.4 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.247 -0.283 . . . . 25.0 110.358 -176.705 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.75 176.89 50.96 Favored Glycine 0 C--O 1.229 -0.183 0 C-N-CA 120.97 -0.633 . . . . 25.0 111.973 -179.944 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -163.41 177.73 8.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 -177.555 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -135.82 165.94 24.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 174.842 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 t80 . . . . . 0 C--N 1.321 -0.66 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 178.538 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 120.263 0.077 . . . . 25.0 111.14 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.66 -42.62 77.68 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 178.438 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -63.03 -28.31 70.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.757 -178.323 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.8 m -85.95 -29.44 23.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 173.711 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -51.06 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.265 1.209 . . . . 25.0 114.265 -175.071 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -88.01 -19.27 27.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.463 0.649 . . . . 25.0 110.367 -174.348 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.429 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.5 p -140.63 -177.23 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 -179.515 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 mm -92.76 129.94 42.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 -175.976 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.0 p -110.02 139.06 45.56 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.745 -1.946 . . . . 25.0 105.745 172.201 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -79.84 170.87 15.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.549 -0.537 . . . . 25.0 109.549 -176.022 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.79 -29.43 68.2 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 116.842 -0.163 . . . . 25.0 111.27 178.555 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -67.77 -36.82 81.17 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 121.344 0.592 . . . . 25.0 110.867 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -69.47 -38.98 77.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 177.002 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.1 -33.57 74.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 25.0 112.274 178.053 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -55.91 -24.51 38.03 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.486 0.921 . . . . 25.0 113.486 178.709 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -64.04 -27.04 68.84 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 178.186 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -77.1 -12.86 60.0 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 179.229 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.26 154.06 41.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.705 1.24 . . . . 25.0 112.31 -172.378 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t30 . . . . . 0 C--O 1.216 -0.698 0 CA-C-O 123.788 1.756 . . . . 25.0 110.586 175.276 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.843 -0.598 . . . . 25.0 109.661 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.7 136.07 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 179.51 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -78.49 127.52 32.28 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.182 0.515 . . . . 25.0 111.206 -176.002 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -159.76 150.6 19.28 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 104.202 -2.518 . . . . 25.0 104.202 173.001 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.3 m-70 -72.01 145.96 47.99 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 170.734 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.54 113.77 19.75 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.721 0.408 . . . . 25.0 111.395 -177.039 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 99.7 m -132.48 152.5 51.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 175.409 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.63 -131.28 43.26 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.984 175.437 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.4 t -59.39 -32.49 70.19 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -33.99 76.27 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.326 -0.859 . . . . 25.0 111.225 179.347 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.2 tp -67.8 -42.95 80.8 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 178.01 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.32 -42.79 97.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.592 178.295 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.59 -36.4 83.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.884 0.373 . . . . 25.0 110.836 -179.484 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.03 -39.05 72.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.239 0.542 . . . . 25.0 109.806 -179.966 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.73 -29.39 69.36 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -177.597 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -58.65 -40.07 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.119 174.971 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.89 -45.57 60.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 179.582 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -72.7 -43.53 61.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.131 0.491 . . . . 25.0 111.161 -173.225 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m -85.1 -16.11 41.68 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.223 -0.298 . . . . 25.0 111.27 -178.417 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.89 -134.02 22.44 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-O 122.188 0.882 . . . . 25.0 114.182 177.802 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -69.6 -15.07 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 114.287 1.217 . . . . 25.0 114.287 -177.325 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.41 -23.14 60.11 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.916 0.389 . . . . 25.0 110.118 -178.039 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.99 174.92 47.69 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.598 -0.601 . . . . 25.0 111.598 -179.577 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -160.79 176.14 11.81 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 -177.827 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -137.04 163.17 31.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.539 -1.652 . . . . 25.0 106.539 178.119 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.322 -0.615 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 177.747 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.674 -0.57 . . . . 25.0 111.674 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.7 tt -62.86 -29.22 46.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.54 -39.93 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 121.918 -0.489 . . . . 25.0 110.495 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -62.58 -41.36 98.89 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.914 -0.491 . . . . 25.0 111.39 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.37 -40.89 83.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.834 0.35 . . . . 25.0 110.338 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -79.77 -30.63 40.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.1 m -73.91 -47.88 34.74 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.685 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 t -88.16 -17.53 30.73 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.4 t -143.27 -168.67 2.86 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mt -107.18 105.49 18.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.537 0.684 . . . . 25.0 111.096 -169.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 m -74.08 122.4 22.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.0 p -75.75 169.87 17.28 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.573 -1.64 . . . . 25.0 106.573 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.92 -27.9 65.71 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 122.268 -0.27 . . . . 25.0 111.447 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -67.69 -38.87 84.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.904 0.383 . . . . 25.0 110.897 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -70.3 -39.15 75.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.498 -0.773 . . . . 25.0 112.879 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -52.19 -30.98 29.61 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -60.82 -26.89 67.65 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.802 1.038 . . . . 25.0 113.802 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -71.67 -4.85 29.66 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.989 0.366 . . . . 25.0 111.989 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -143.39 -178.33 5.82 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.735 0.779 . . . . 25.0 110.409 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--O 1.212 -0.917 0 CA-C-O 122.852 1.311 . . . . 25.0 111.961 178.732 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.2 t -113.09 130.91 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 107.335 -1.358 . . . . 25.0 107.335 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -73.94 135.55 43.25 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.661 0.744 . . . . 25.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -160.32 148.86 16.85 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 105.096 -2.187 . . . . 25.0 105.096 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 81.9 m-70 -66.96 141.47 57.6 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.691 -1.966 . . . . 25.0 105.691 167.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.8 mt -126.76 105.41 8.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.205 0.526 . . . . 25.0 111.899 -172.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.75 157.18 46.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.68 -141.09 47.48 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.627 -0.797 . . . . 25.0 112.282 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -59.91 -28.86 67.95 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -61.55 -40.44 94.7 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.757 -0.589 . . . . 25.0 110.285 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.63 -43.5 89.33 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.08 -46.39 96.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.893 0.377 . . . . 25.0 111.195 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -69.36 -28.65 66.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.666 -0.646 . . . . 25.0 112.147 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.06 74.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.45 -32.79 74.6 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -56.97 -42.03 79.41 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.982 0.42 . . . . 25.0 110.028 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.8 -44.04 64.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.5 t -73.07 -40.9 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 25.0 110.89 -173.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.5 m -83.44 -22.3 32.67 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.649 -0.42 . . . . 25.0 111.126 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.28 -143.01 48.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.461 -0.876 . . . . 25.0 112.753 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.01 -9.27 37.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.338 1.236 . . . . 25.0 114.338 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -70.62 -22.59 62.51 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.998 -0.439 . . . . 25.0 111.192 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.81 178.88 47.27 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 109.501 -1.44 . . . . 25.0 109.501 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -160.55 176.25 11.8 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -134.0 168.1 19.41 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -135.73 152.7 51.41 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.97 88.0 16.26 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-O 121.546 0.688 . . . . 25.0 109.568 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.3 164.79 30.46 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 120.944 1.096 . . . . 25.0 111.128 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -142.41 106.06 4.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 122.394 1.092 . . . . 25.0 110.765 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.211 -0.95 0 CA-C-O 125.166 2.413 . . . . 25.0 111.147 179.424 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.044 0 CA-C-O 118.943 -0.92 . . . . 25.0 111.731 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.2 tt -65.74 -36.52 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.818 1.309 . . . . 25.0 112.8 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.15 -40.83 88.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -58.54 -42.59 88.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.641 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -64.02 -39.99 95.33 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 121.015 -0.274 . . . . 25.0 111.461 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.0 m -73.28 -31.85 64.31 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.141 -0.623 . . . . 25.0 111.471 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.3 m -71.72 -45.21 62.5 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.979 -0.288 . . . . 25.0 111.406 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 t -88.03 -21.71 24.62 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.6 t -140.18 -172.58 3.45 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.049 -0.407 . . . . 25.0 110.39 -175.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mm -94.82 111.12 24.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 121.653 -0.654 . . . . 25.0 111.295 -170.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 m -90.0 111.82 23.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -74.37 170.63 15.25 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.792 -1.188 . . . . 25.0 107.792 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.68 -30.23 65.3 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -68.88 -38.92 80.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.255 0.55 . . . . 25.0 111.061 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -68.41 -37.8 80.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.13 -34.37 78.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.56 -0.745 . . . . 25.0 112.421 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.11 -23.52 55.21 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.1 -27.0 68.62 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 122.037 -0.415 . . . . 25.0 112.038 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -74.4 -19.09 60.55 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.063 -0.398 . . . . 25.0 110.728 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.3 m -83.47 73.93 10.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.507 0.67 . . . . 25.0 109.347 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 . . . . . 0 N--CA 1.481 1.096 0 C-N-CA 125.769 1.628 . . . . 25.0 114.81 179.49 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.1 t80 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.933 -0.556 . . . . 25.0 109.707 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 68.4 t -124.31 127.59 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 107.056 -1.461 . . . . 25.0 107.056 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -69.13 130.25 42.17 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.7 151.66 20.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.894 -2.261 . . . . 25.0 104.894 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 63.1 m-70 -69.13 144.75 53.79 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 106.645 -1.613 . . . . 25.0 106.645 170.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -127.11 105.82 8.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.078 0.466 . . . . 25.0 110.832 -173.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -138.02 160.0 40.54 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.53 -139.25 48.36 Favored Glycine 0 CA--C 1.516 0.111 0 C-N-CA 120.737 -0.744 . . . . 25.0 111.655 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -30.49 68.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -62.83 -33.3 74.95 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.839 -0.538 . . . . 25.0 111.216 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.98 -48.03 72.6 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.72 -0.392 . . . . 25.0 110.802 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.13 -29.42 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.174 -0.61 . . . . 25.0 111.169 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -64.07 -39.93 95.16 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.22 82.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.083 -0.34 . . . . 25.0 110.083 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.91 -31.41 72.63 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -61.01 -37.66 83.33 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.173 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.85 -43.3 65.73 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.6 t -73.09 -42.67 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 121.116 0.484 . . . . 25.0 111.505 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.71 -20.9 35.17 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.175 -0.61 . . . . 25.0 110.51 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.72 -156.71 52.47 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.483 -0.865 . . . . 25.0 111.849 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.58 -6.35 10.75 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -69.46 -23.93 63.73 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.972 -0.455 . . . . 25.0 110.41 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.19 172.53 44.7 Favored Glycine 0 C--O 1.225 -0.457 0 N-CA-C 111.599 -0.601 . . . . 25.0 111.599 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -158.27 175.87 13.19 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.281 -2.489 . . . . 25.0 104.281 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -131.41 162.68 29.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -141.87 141.74 33.08 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 105.95 -1.87 . . . . 25.0 105.95 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.8 p -120.76 94.9 49.01 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -70.18 156.18 62.86 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 117.996 -0.869 . . . . 25.0 109.851 175.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -140.0 140.36 36.23 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.207 -1.154 0 CA-C-O 123.777 1.751 . . . . 25.0 113.741 -178.312 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 111.573 -0.611 . . . . 25.0 111.573 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt -62.21 -33.94 61.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 117.5 0.65 . . . . 25.0 112.282 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.92 -33.47 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 122.131 -0.355 . . . . 25.0 111.637 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -65.23 -40.78 94.51 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 121.368 -0.832 . . . . 25.0 111.061 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.36 -41.29 93.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.175 0.512 . . . . 25.0 110.067 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 m -75.29 -29.58 60.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -72.67 -50.13 26.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.874 0.369 . . . . 25.0 110.584 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -87.98 -24.15 23.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -132.89 179.07 6.4 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 122.087 -0.383 . . . . 25.0 110.906 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -70.04 117.45 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.778 0.799 . . . . 25.0 111.396 -167.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 t -92.42 83.23 4.95 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.6 p -71.41 168.82 16.64 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -58.13 -29.58 65.65 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 122.188 -0.32 . . . . 25.0 111.776 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.52 -38.2 77.44 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 121.36 0.6 . . . . 25.0 110.942 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.34 -39.37 81.92 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 109.017 -0.735 . . . . 25.0 109.017 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.55 -36.86 85.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.945 -0.57 . . . . 25.0 111.673 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.25 -26.37 66.4 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -67.42 -26.97 66.68 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -76.48 -15.99 59.77 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.419 0.628 . . . . 25.0 109.78 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.83 114.5 21.68 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -175.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 115.057 1.503 . . . . 25.0 115.057 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 81.9 t80 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 119.199 -0.429 . . . . 25.0 109.944 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.8 t -116.67 118.15 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -66.17 135.45 54.55 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 120.97 0.414 . . . . 25.0 110.495 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -160.3 159.09 30.88 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 104.608 -2.367 . . . . 25.0 104.608 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -68.39 140.79 55.85 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 168.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -133.27 119.45 19.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.969 0.414 . . . . 25.0 110.23 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -142.53 156.68 45.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.81 -143.11 48.39 Favored Glycine 0 CA--C 1.516 0.104 0 C-N-CA 120.655 -0.783 . . . . 25.0 111.884 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -28.13 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.404 0.891 . . . . 25.0 113.404 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -36.27 78.09 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.192 -0.317 . . . . 25.0 110.871 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.5 tp -66.21 -44.17 84.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.678 -0.489 . . . . 25.0 109.678 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.74 -42.15 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.859 -0.61 . . . . 25.0 110.709 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -63.35 -34.27 77.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.98 0.419 . . . . 25.0 111.136 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.8 61.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.532 -0.304 . . . . 25.0 110.653 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 mt -65.27 -31.11 72.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.743 0.275 . . . . 25.0 111.743 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -61.62 -35.33 77.58 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.741 -0.384 . . . . 25.0 110.567 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -71.87 -42.57 66.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.141 0.496 . . . . 25.0 112.275 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -78.51 -41.53 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 25.0 111.254 -172.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.2 m -80.57 -20.22 43.85 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.767 -0.373 . . . . 25.0 110.394 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.48 -144.85 47.5 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.138 -1.029 . . . . 25.0 111.06 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -64.68 -18.3 64.86 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.715 1.376 . . . . 25.0 114.715 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -70.53 -17.59 62.94 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.239 0.829 . . . . 25.0 113.239 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.59 178.96 50.72 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.97 -0.633 . . . . 25.0 113.153 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -163.56 179.1 7.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -136.63 168.56 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.416 -1.327 . . . . 25.0 107.416 173.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -142.75 150.67 40.38 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.189 -2.152 . . . . 25.0 105.189 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 45.3 p -113.26 84.94 7.88 Favored Pre-proline 0 C--O 1.241 0.642 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.23 168.23 22.04 Favored 'Trans proline' 0 C--N 1.344 0.3 0 N-CA-C 111.131 -0.373 . . . . 25.0 111.131 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -130.26 106.73 8.77 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 174.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.213 -0.833 0 CA-C-O 125.133 2.397 . . . . 25.0 112.149 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.559 0 CA-C-O 118.721 -1.044 . . . . 25.0 111.349 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -61.67 -36.42 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 118.719 1.259 . . . . 25.0 113.346 -171.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 t -68.18 -40.42 82.81 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 O-C-N 121.532 -0.73 . . . . 25.0 109.894 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -61.81 -43.66 98.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.044 -0.526 . . . . 25.0 109.782 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -67.42 -38.14 84.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.293 -0.412 . . . . 25.0 110.724 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.1 m -73.04 -22.11 60.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.856 0.688 . . . . 25.0 112.856 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.32 -46.17 12.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.147 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -82.26 -23.58 35.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.442 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.2 t -137.7 -178.41 5.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.871 -0.518 . . . . 25.0 109.864 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -75.44 120.96 26.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.731 0.777 . . . . 25.0 111.073 -168.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HB3' HD12 ' B' ' 6' ' ' LEU . 6.7 t -87.74 77.46 8.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.318 -0.856 . . . . 25.0 109.272 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.8 m -64.3 159.69 20.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.885 -0.598 . . . . 25.0 109.817 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -53.42 -29.04 33.07 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.03 -38.0 89.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.364 0.602 . . . . 25.0 111.564 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -74.53 -38.9 62.65 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.7 mt -59.9 -36.88 77.9 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.828 -0.624 . . . . 25.0 111.994 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -56.92 -31.85 65.35 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.54 -26.94 67.37 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.015 0.746 . . . . 25.0 113.015 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -69.4 -21.87 63.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.232 0.539 . . . . 25.0 110.24 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 m -88.06 133.02 34.07 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 t30 . . . . . 0 N--CA 1.482 1.156 0 C-N-CA 125.287 1.435 . . . . 25.0 114.377 -176.169 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.3 t -123.56 133.49 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 106.623 -1.621 . . . . 25.0 106.623 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -74.46 132.58 42.04 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.886 -0.726 . . . . 25.0 110.637 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -160.23 147.91 16.43 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.937 -1.875 . . . . 25.0 105.937 170.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.0 m-70 -68.91 145.17 53.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 168.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 11' ' ' CYS . 89.6 mt -133.22 125.47 29.45 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -136.75 160.3 39.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.995 -0.743 . . . . 25.0 108.995 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.82 -134.44 43.56 Favored Glycine 0 C--O 1.227 -0.284 0 N-CA-C 114.606 0.602 . . . . 25.0 114.606 172.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -60.47 -31.91 70.9 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -63.9 -36.97 85.7 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.868 -0.52 . . . . 25.0 110.652 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.27 -42.5 83.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.8 -41.64 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.13 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -63.06 -33.01 74.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.003 0.43 . . . . 25.0 111.018 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.34 -34.09 63.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.737 0.303 . . . . 25.0 110.97 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.7 mt -64.71 -33.31 75.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.67 0.248 . . . . 25.0 111.67 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -57.65 -39.97 78.23 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 120.856 0.36 . . . . 25.0 110.481 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.02 -45.13 62.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -72.18 -42.94 66.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.055 -0.521 . . . . 25.0 111.493 -171.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.9 m -95.2 -11.42 28.1 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.132 -0.627 . . . . 25.0 111.478 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.84 -147.1 44.15 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.413 -0.899 . . . . 25.0 113.968 174.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -67.38 -6.47 19.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -72.97 -19.42 61.23 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 122.23 -0.294 . . . . 25.0 110.32 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.74 174.08 50.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.66 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -165.53 176.89 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.404 -2.073 . . . . 25.0 105.404 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -134.49 167.58 20.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.252 -1.018 . . . . 25.0 108.252 172.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -141.51 148.18 38.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.761 -1.94 . . . . 25.0 105.761 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 38.5 p -107.76 91.65 7.75 Favored Pre-proline 0 C--O 1.24 0.578 0 CA-C-O 120.911 0.386 . . . . 25.0 111.894 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -75.09 158.68 41.71 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 117.676 -1.082 . . . . 25.0 111.625 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -85.87 85.84 7.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 C--O 1.211 -0.93 0 CA-C-O 124.871 2.272 . . . . 25.0 112.28 -179.593 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.585 -0.606 . . . . 25.0 111.585 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -64.2 -32.44 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 113.118 0.785 . . . . 25.0 113.118 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.37 -33.11 60.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 O-C-N 121.773 -0.58 . . . . 25.0 110.77 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -67.03 -45.53 77.19 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.407 -0.808 . . . . 25.0 110.201 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -57.95 -42.31 84.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.19 -0.3 . . . . 25.0 110.19 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 t -77.24 -29.16 53.95 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.84 -45.22 21.26 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.855 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -88.0 -22.86 24.03 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.7 m -136.28 175.39 9.65 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 110.151 -0.315 . . . . 25.0 110.151 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mm -76.75 125.92 36.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 O-C-N 121.705 -0.622 . . . . 25.0 109.784 -171.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -104.48 108.13 19.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 172.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 p -73.19 173.06 9.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.035 -1.468 . . . . 25.0 107.035 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.75 -31.61 64.76 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -66.81 -38.83 87.23 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.942 -0.474 . . . . 25.0 111.375 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -66.54 -39.59 88.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.77 -36.49 83.7 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.477 -0.783 . . . . 25.0 112.535 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -55.14 -27.56 46.3 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.396 0.888 . . . . 25.0 113.396 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -63.18 -26.81 68.98 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -74.28 -2.71 26.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.431 0.292 . . . . 25.0 110.935 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 m -115.52 146.97 41.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.388 0.613 . . . . 25.0 110.418 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.7 t30 . . . . . 0 C--O 1.207 -1.158 0 CA-C-O 124.63 2.157 . . . . 25.0 113.299 -179.264 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 119.251 -0.404 . . . . 25.0 109.945 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t -97.7 112.28 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.732 -1.211 . . . . 25.0 107.732 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -68.74 131.92 45.96 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 121.175 0.512 . . . . 25.0 110.656 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -160.14 158.45 30.22 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 103.926 -2.62 . . . . 25.0 103.926 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -75.92 149.6 37.69 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 105.752 -1.944 . . . . 25.0 105.752 166.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.53 129.89 48.18 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.652 0.66 . . . . 25.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 98.1 m -140.16 159.99 40.94 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.2 -140.53 46.55 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 121.113 -0.565 . . . . 25.0 113.306 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -30.88 68.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -62.78 -31.82 72.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.046 -0.409 . . . . 25.0 111.115 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.9 -48.03 64.35 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.128 -0.229 . . . . 25.0 110.969 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.32 -29.27 38.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 119.68 -0.808 . . . . 25.0 110.721 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -62.81 -40.91 98.83 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.898 -0.501 . . . . 25.0 110.21 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.75 87.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.894 0.378 . . . . 25.0 110.251 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.55 -34.62 78.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.143 0.423 . . . . 25.0 112.143 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -61.61 -36.37 80.53 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.84 -48.09 48.5 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.02 -41.82 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.189 0.518 . . . . 25.0 111.074 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.3 m -101.85 -8.51 21.56 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.36 -141.57 41.09 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.024 -1.084 . . . . 25.0 114.038 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.48 -9.19 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 115.604 1.705 . . . . 25.0 115.604 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -75.32 -12.31 60.24 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.179 0.899 . . . . 25.0 111.781 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.24 177.43 51.7 Favored Glycine 0 C--O 1.237 0.292 0 C-N-CA 121.144 -0.55 . . . . 25.0 112.325 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -163.03 177.32 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -130.18 166.02 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -140.43 143.42 35.58 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.891 -0.506 . . . . 25.0 110.226 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 46.2 p -105.09 95.96 10.28 Favored Pre-proline 0 C--O 1.241 0.613 0 CA-C-N 116.023 -0.535 . . . . 25.0 110.2 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.96 167.54 26.84 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 118.036 -0.843 . . . . 25.0 112.07 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -83.18 90.45 7.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 C--O 1.214 -0.803 0 CA-C-O 124.91 2.29 . . . . 25.0 111.854 -178.187 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.013 0 N-CA-C 111.309 -0.717 . . . . 25.0 111.309 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -57.72 -37.0 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -170.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -63.23 -38.28 81.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 121.596 -0.69 . . . . 25.0 111.277 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -68.19 -37.51 81.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.714 -0.616 . . . . 25.0 110.274 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -62.28 -42.23 99.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.231 -0.44 . . . . 25.0 110.759 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.61 -22.41 47.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.139 0.422 . . . . 25.0 112.139 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.5 t -74.18 -49.97 21.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.743 0.306 . . . . 25.0 110.704 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -88.12 -21.65 24.54 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.305 0.854 . . . . 25.0 113.305 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.498 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 51.8 m -134.96 -173.86 3.43 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mt -106.9 107.25 22.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.309 0.576 . . . . 25.0 111.659 -169.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.1 m -80.84 119.51 23.5 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 173.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 p -73.57 168.7 18.78 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 174.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.32 -32.38 64.59 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 111.983 0.364 . . . . 25.0 111.983 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -64.33 -37.75 88.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.479 0.656 . . . . 25.0 111.618 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -72.89 -37.41 67.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.012 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.44 -32.23 73.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.005 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.94 -25.68 31.15 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.067 0.765 . . . . 25.0 113.067 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -61.16 -30.03 70.15 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -66.41 -17.13 64.61 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.137 0.494 . . . . 25.0 110.934 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 p -137.46 44.0 2.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.317 1.056 . . . . 25.0 108.698 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.0 t30 . . . . . 0 C--O 1.209 -1.058 0 CA-C-O 123.787 1.756 . . . . 25.0 112.552 -179.172 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.3 t80 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.885 -0.578 . . . . 25.0 109.822 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.8 t -120.43 125.07 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.64 130.15 41.03 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 120.845 0.355 . . . . 25.0 110.738 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -159.92 150.36 18.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 105.325 -2.102 . . . . 25.0 105.325 175.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.5 m-70 -66.97 142.13 57.36 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 169.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -125.44 105.45 9.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.265 0.555 . . . . 25.0 110.677 -174.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -138.86 157.8 45.38 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.03 -143.52 48.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.53 -0.843 . . . . 25.0 111.116 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -28.61 67.23 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.36 -37.04 79.44 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.978 -0.452 . . . . 25.0 111.219 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.89 -43.71 87.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 25.0 109.938 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.32 -43.56 94.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.456 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -63.56 -36.22 83.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 25.0 110.735 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.71 76.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.876 0.369 . . . . 25.0 110.191 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.06 -30.46 71.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.773 0.657 . . . . 25.0 112.773 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -60.36 -38.74 84.79 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.316 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.81 -44.59 63.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.439 0.533 . . . . 25.0 112.439 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.48 -40.69 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.046 -0.525 . . . . 25.0 111.616 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -82.68 -15.83 50.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.521 -0.309 . . . . 25.0 110.764 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.16 -157.95 52.3 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-O 121.9 0.722 . . . . 25.0 112.115 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -67.45 -6.3 18.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -67.11 -26.16 66.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.722 0.296 . . . . 25.0 111.116 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.63 -177.24 53.48 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.542 -1.023 . . . . 25.0 110.542 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -162.77 -179.55 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.836 -1.913 . . . . 25.0 105.836 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -133.23 167.64 20.0 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -131.37 149.14 52.66 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.746 -1.576 . . . . 25.0 106.746 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.22 90.99 21.84 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 121.292 0.568 . . . . 25.0 109.726 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -78.25 170.39 18.67 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 121.403 1.402 . . . . 25.0 111.566 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -117.94 97.24 5.72 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 122.288 1.042 . . . . 25.0 108.985 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.206 -1.199 0 CA-C-O 123.822 1.772 . . . . 25.0 113.15 -178.295 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 N-CA-C 111.322 -0.711 . . . . 25.0 111.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 tt -60.34 -34.66 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -171.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.87 -43.14 97.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -68.33 -39.43 81.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.196 -0.315 . . . . 25.0 110.513 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -58.21 -37.91 75.76 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.059 0.224 . . . . 25.0 111.549 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.8 m -86.51 -29.59 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -79.34 -55.6 4.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -174.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -88.07 -20.39 25.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.049 0.452 . . . . 25.0 111.484 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.461 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 50.4 m -133.55 -164.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.543 -1.28 . . . . 25.0 107.543 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mt -119.23 115.16 46.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -174.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -94.54 154.06 17.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.8 p -85.24 167.33 15.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.8 0.333 . . . . 25.0 110.501 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.53 -28.0 68.07 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.089 0.403 . . . . 25.0 112.089 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -67.2 -37.96 84.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -70.25 -38.41 75.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.2 mt -60.09 -35.96 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.492 0.553 . . . . 25.0 112.492 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.02 -26.7 60.71 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.238 0.829 . . . . 25.0 113.238 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -63.86 -27.06 68.9 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.886 0.698 . . . . 25.0 112.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -65.89 -27.86 68.52 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.036 0.446 . . . . 25.0 109.848 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.0 m -87.1 51.28 2.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.27 1.033 . . . . 25.0 109.947 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 124.791 2.234 . . . . 25.0 112.372 -177.511 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 119.008 -0.52 . . . . 25.0 109.838 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.6 t -107.47 119.76 57.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -74.34 129.43 37.78 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 120.421 -0.512 . . . . 25.0 110.912 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -159.67 155.52 26.24 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 103.279 -2.86 . . . . 25.0 103.279 172.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 76.8 m-70 -68.16 138.12 55.42 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 106.82 -1.548 . . . . 25.0 106.82 170.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 67.2 mt -126.35 105.3 8.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.289 0.566 . . . . 25.0 111.281 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -139.21 157.22 46.31 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.43 -137.94 47.26 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.571 -0.823 . . . . 25.0 112.128 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.6 p -61.21 -28.55 69.23 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -64.2 -37.18 86.54 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.672 -0.642 . . . . 25.0 110.537 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.87 -40.04 87.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.38 -42.95 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.033 0.444 . . . . 25.0 110.453 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -65.54 -31.77 73.0 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.892 -0.505 . . . . 25.0 111.36 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.39 75.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.957 -0.465 . . . . 25.0 109.943 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.2 -32.6 74.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -56.51 -43.53 79.83 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 120.958 0.409 . . . . 25.0 110.132 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.87 -44.23 64.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.229 0.826 . . . . 25.0 113.229 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 82.8 t -72.28 -43.32 65.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.73 -172.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -91.62 -12.87 33.01 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.22 -0.592 . . . . 25.0 110.762 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.69 -147.41 49.94 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-O 122.246 0.915 . . . . 25.0 114.429 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.19 -6.33 17.51 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -71.01 -21.95 62.22 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.848 0.356 . . . . 25.0 110.557 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.69 175.92 51.14 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.276 -1.129 . . . . 25.0 110.276 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -167.46 177.12 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -137.28 165.38 26.3 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.344 -1.724 . . . . 25.0 106.344 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -144.82 143.0 30.41 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -105.63 95.75 10.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.988 0.423 . . . . 25.0 110.765 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.83 153.98 48.27 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 117.045 -1.503 . . . . 25.0 112.264 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -87.2 92.46 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.206 -1.234 0 CA-C-O 123.707 1.718 . . . . 25.0 113.597 -178.567 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.833 0 CA-C-O 118.93 -0.928 . . . . 25.0 111.607 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.5 tt -67.11 -36.17 76.26 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 118.862 1.331 . . . . 25.0 114.205 -175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.2 -35.87 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.193 -0.942 . . . . 25.0 109.134 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -64.77 -42.91 94.74 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 122.056 -0.402 . . . . 25.0 110.021 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -58.79 -45.05 90.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.719 0.295 . . . . 25.0 111.048 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.2 m -74.65 -25.14 59.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.3 t -83.41 -45.61 13.48 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -81.04 -24.19 38.05 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.08 -0.387 . . . . 25.0 111.939 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.47 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 60.2 m -143.41 -177.68 5.5 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.765 -0.585 . . . . 25.0 109.962 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.7 mm -86.3 134.21 27.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 -174.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 p -124.0 141.03 52.4 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 173.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.4 p -89.41 173.88 8.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.337 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.67 -28.59 65.88 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 112.273 0.472 . . . . 25.0 112.273 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -69.71 -35.51 75.11 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.372 0.606 . . . . 25.0 110.729 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -72.72 -33.49 66.46 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.92 -35.12 80.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.606 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.22 -25.24 46.65 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -61.24 -26.8 67.99 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -73.31 1.77 8.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.736 0.414 . . . . 25.0 111.494 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -116.79 147.07 42.41 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 124.382 2.039 . . . . 25.0 111.285 178.602 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 t80 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 118.939 -0.553 . . . . 25.0 109.684 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -114.03 127.84 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -75.98 126.69 31.48 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 120.636 -0.425 . . . . 25.0 110.303 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -160.03 148.04 16.84 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 105.647 -1.983 . . . . 25.0 105.647 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.47 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.9 m-70 -69.61 144.6 52.95 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 170.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 mt -129.35 105.26 8.0 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 122.833 0.453 . . . . 25.0 109.918 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 62.5 m -110.14 -71.89 0.74 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.682 0.993 . . . . 25.0 113.682 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.08 -117.13 2.02 Favored Glycine 0 C--O 1.225 -0.433 0 CA-C-N 116.193 -0.458 . . . . 25.0 113.258 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.0 p -56.69 -31.89 64.9 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -58.04 -38.07 75.56 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.029 0.381 . . . . 25.0 112.029 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 29.2 tp -68.77 -41.96 78.12 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 109.532 -0.544 . . . . 25.0 109.532 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.55 -44.64 96.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.195 0.521 . . . . 25.0 110.425 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.02 -34.27 77.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 25.0 110.833 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.18 76.07 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.58 -32.37 73.66 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -59.05 -37.94 78.2 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 110.207 -0.294 . . . . 25.0 110.207 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.94 -46.01 59.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.0 -44.06 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 25.0 111.918 -171.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.49 -9.89 39.77 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.05 -0.66 . . . . 25.0 111.41 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.99 -145.73 45.8 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.103 -1.046 . . . . 25.0 113.073 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -70.73 -8.15 50.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 115.279 1.585 . . . . 25.0 115.279 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -74.71 -15.1 60.8 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.094 0.861 . . . . 25.0 112.116 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.21 173.54 48.57 Favored Glycine 0 C--O 1.228 -0.229 0 C-N-CA 121.118 -0.563 . . . . 25.0 111.714 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -164.46 178.67 7.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -129.05 160.26 33.34 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -104.04 154.61 19.49 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.723 -1.954 . . . . 25.0 105.723 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 40.8 p -104.27 93.52 5.78 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 109.72 -0.474 . . . . 25.0 109.72 177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -76.83 -178.75 4.78 Favored 'Trans proline' 0 C--N 1.351 0.664 0 CA-C-O 121.254 0.439 . . . . 25.0 112.533 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -117.89 97.48 5.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.214 -0.77 0 CA-C-O 124.698 2.189 . . . . 25.0 111.366 -179.029 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 CA-C-O 119.245 -0.753 . . . . 25.0 111.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -62.42 -33.6 60.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 -172.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.68 -31.92 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 121.836 -0.54 . . . . 25.0 112.342 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.13 -33.12 72.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -177.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.97 -25.91 67.9 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.9 m -110.31 2.87 19.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.935 0.398 . . . . 25.0 111.593 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -109.27 -51.28 2.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -78.32 -20.96 50.33 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.292 0.568 . . . . 25.0 110.379 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -143.05 165.95 25.97 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 102.031 -3.322 . . . . 25.0 102.031 174.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' H ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.63 157.9 3.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 178.72 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -131.61 157.74 42.87 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 104.584 -2.376 . . . . 25.0 104.584 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.8 p -84.46 169.49 14.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.882 0.372 . . . . 25.0 110.759 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.48 -27.84 67.88 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 121.105 0.479 . . . . 25.0 111.341 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -68.47 -34.87 76.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.535 0.683 . . . . 25.0 110.048 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -73.26 -35.43 66.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.056 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.54 -32.09 72.98 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.492 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.17 -23.66 49.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.529 0.937 . . . . 25.0 113.529 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -66.3 -29.41 69.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.301 0.572 . . . . 25.0 111.839 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -74.45 -20.19 60.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.8 m -80.54 48.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t30 . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 123.772 1.749 . . . . 25.0 114.649 -179.015 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.3 t80 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 119.095 -0.479 . . . . 25.0 109.744 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.3 t -126.19 127.19 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -73.36 129.01 37.1 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -158.04 147.58 19.78 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 104.711 -2.329 . . . . 25.0 104.711 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -63.77 111.45 2.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.21 -0.45 . . . . 25.0 110.589 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.1 mt -125.3 138.91 54.08 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -153.31 163.02 40.66 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.965 -1.494 . . . . 25.0 106.965 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.98 -140.6 44.01 Favored Glycine 0 N--CA 1.453 -0.188 0 N-CA-C 110.757 -0.937 . . . . 25.0 110.757 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.3 p -58.42 -29.87 66.44 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.448 0.536 . . . . 25.0 112.448 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -70.65 -28.31 64.71 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.519 -0.738 . . . . 25.0 112.456 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 tp -73.61 -37.69 65.32 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.2 t -61.26 -39.26 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.206 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.47 -34.87 78.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.013 -0.429 . . . . 25.0 110.815 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -37.41 66.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.423 . . . . 25.0 109.916 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.49 -34.87 78.72 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.294 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -57.97 -38.91 76.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.329 0.513 . . . . 25.0 111.088 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -71.79 -43.67 65.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -76.45 -37.98 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.454 0.645 . . . . 25.0 110.899 -173.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' B' ' 24' ' ' PHE . 55.9 m -82.87 -22.01 34.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.386 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.54 -145.43 49.69 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.175 -1.17 . . . . 25.0 110.175 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mp0 -71.87 -9.96 59.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 115.004 1.483 . . . . 25.0 115.004 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -73.56 -16.04 61.27 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -174.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.44 176.16 51.27 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.824 -0.703 . . . . 25.0 112.523 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.409 ' HB3' ' SG ' ' B' ' 19' ' ' CYS . 48.6 p90 -165.39 -177.58 4.55 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 -175.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -129.16 161.87 29.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -146.19 142.01 28.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 82.0 p -114.51 100.87 53.8 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-O 120.651 0.262 . . . . 25.0 110.883 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.49 162.43 40.05 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 118.3 -0.667 . . . . 25.0 112.357 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -86.98 85.05 7.23 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.213 -0.865 0 CA-C-O 124.655 2.169 . . . . 25.0 111.64 178.904 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.605 0 CA-C-O 119.08 -0.844 . . . . 25.0 111.72 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -62.59 -30.39 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.533 1.167 . . . . 25.0 113.228 -174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.2 t -67.05 -41.46 87.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 O-C-N 121.464 -0.772 . . . . 25.0 109.83 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.32 -38.11 89.86 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -58.79 -42.57 89.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.274 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -78.9 -25.47 43.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.04 -50.29 10.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -176.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -87.24 -23.76 24.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.976 0.417 . . . . 25.0 111.109 -173.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.463 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.8 m -135.67 -179.25 5.53 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.948 -0.39 . . . . 25.0 109.948 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mm -87.9 131.75 34.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -117.92 136.23 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 172.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p -82.85 173.2 12.05 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.008 -0.367 . . . . 25.0 110.008 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -59.37 -29.37 67.65 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 111.726 0.269 . . . . 25.0 111.726 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -68.21 -35.03 77.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.725 0.774 . . . . 25.0 110.552 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -73.45 -33.67 65.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.04 -33.13 74.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.099 -0.5 . . . . 25.0 112.029 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.53 -29.21 64.16 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.071 -0.393 . . . . 25.0 111.706 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.58 -26.89 68.25 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -67.63 -24.51 65.47 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 122.3 -0.25 . . . . 25.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.84 36.89 3.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.245 1.022 . . . . 25.0 110.308 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 t30 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 123.524 1.631 . . . . 25.0 114.975 -177.164 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 t80 . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.62 117.58 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.24 129.14 38.95 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -160.01 150.52 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 105.355 -2.091 . . . . 25.0 105.355 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.463 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.8 m-70 -69.87 144.24 52.58 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 168.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.1 mt -129.2 112.82 14.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.515 0.561 . . . . 25.0 112.515 -172.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 70.7 m -131.8 156.69 45.56 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.484 -0.562 . . . . 25.0 109.484 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.71 -137.11 43.7 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 121.272 -0.489 . . . . 25.0 113.51 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -27.98 66.06 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 113.665 0.987 . . . . 25.0 113.665 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -39.91 95.0 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.603 -0.686 . . . . 25.0 109.893 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 tp -66.99 -41.47 86.69 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.93 -43.33 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.659 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.95 -32.7 74.35 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.856 -0.528 . . . . 25.0 111.402 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.65 78.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.09 -0.707 . . . . 25.0 109.09 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.1 -33.45 76.07 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -55.06 -44.57 74.87 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.031 0.443 . . . . 25.0 110.378 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.95 -43.58 65.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.433 0.901 . . . . 25.0 113.433 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.0 t -74.58 -40.63 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.259 0.552 . . . . 25.0 111.546 -173.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.5 m -81.78 -22.52 37.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.29 -150.98 52.1 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-O 121.861 0.701 . . . . 25.0 113.484 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.23 -8.1 22.48 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -70.41 -23.02 62.68 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.304 -0.247 . . . . 25.0 110.899 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.61 177.34 51.71 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 109.916 -1.274 . . . . 25.0 109.916 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -165.58 177.28 7.48 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -134.57 166.17 23.51 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.665 -1.606 . . . . 25.0 106.665 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -140.84 142.67 34.55 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.032 -1.47 . . . . 25.0 107.032 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.53 97.48 46.63 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-O 121.813 0.816 . . . . 25.0 110.062 -177.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -80.06 155.83 22.99 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 120.67 0.913 . . . . 25.0 111.703 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -86.49 84.8 7.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 122.265 1.031 . . . . 25.0 108.914 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.207 -1.171 0 CA-C-O 123.116 1.436 . . . . 25.0 112.386 -179.076 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.755 0 CA-C-O 118.653 -1.082 . . . . 25.0 111.291 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.7 tt -56.53 -43.42 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.69 1.245 . . . . 25.0 114.154 -171.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.47 -40.04 87.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 121.468 -0.77 . . . . 25.0 110.937 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -62.28 -42.83 99.68 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.82 -38.5 91.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.136 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.3 m -74.37 -30.9 62.19 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.543 -0.463 . . . . 25.0 111.646 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.9 m -70.05 -47.96 59.87 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.041 -0.263 . . . . 25.0 110.864 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -88.0 -24.78 23.42 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.776 1.028 . . . . 25.0 113.776 -174.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.44 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.6 t -138.34 -170.24 2.77 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.828 -0.545 . . . . 25.0 110.456 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.8 mm -92.65 124.14 44.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 121.72 -0.613 . . . . 25.0 111.408 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 m -104.07 119.79 39.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.9 p -76.39 170.41 16.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.38 -29.24 65.87 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -70.16 -39.28 75.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.114 0.483 . . . . 25.0 111.05 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.08 -36.88 80.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.18 -33.27 74.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.59 -0.732 . . . . 25.0 112.278 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.64 -24.99 62.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -60.6 -26.91 67.34 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -70.93 -21.74 62.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.322 -0.236 . . . . 25.0 111.346 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.4 m -83.12 67.35 9.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.774 0.797 . . . . 25.0 110.37 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--O 1.212 -0.905 0 CA-C-O 125.023 2.344 . . . . 25.0 111.87 178.679 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.7 t80 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.773 -0.632 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.8 t -124.17 130.45 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -66.96 128.71 37.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.907 0.384 . . . . 25.0 110.729 177.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -159.16 149.08 19.01 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 105.998 -1.853 . . . . 25.0 105.998 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 64.0 m-70 -67.67 144.83 55.3 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 170.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -135.78 117.75 15.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.641 0.258 . . . . 25.0 110.766 -175.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -143.38 159.95 41.43 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -141.18 46.43 Favored Glycine 0 C--O 1.231 -0.071 0 C-N-CA 120.919 -0.658 . . . . 25.0 111.686 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -29.39 67.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -34.16 75.85 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.957 -0.464 . . . . 25.0 111.405 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.25 -43.73 85.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.75 -41.91 88.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.236 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.68 -36.11 79.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.168 0.509 . . . . 25.0 110.612 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.2 75.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.765 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.28 -30.73 71.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -59.99 -41.7 92.6 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.1 mt -71.75 -41.22 68.7 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.51 -44.15 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.262 -0.426 . . . . 25.0 111.016 -174.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -20.57 27.23 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.9 -0.72 . . . . 25.0 111.751 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.27 -140.68 46.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.615 -0.802 . . . . 25.0 112.379 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.94 -23.56 61.55 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -63.74 -28.12 69.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 -179.27 47.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.838 -0.696 . . . . 25.0 111.907 -177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -166.82 177.66 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 104.461 -2.422 . . . . 25.0 104.461 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -140.08 165.42 27.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.559 -1.645 . . . . 25.0 106.559 171.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -141.23 137.34 32.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.624 -1.251 . . . . 25.0 107.624 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -119.83 96.2 49.43 Favored Pre-proline 0 C--O 1.239 0.528 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -176.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -72.06 154.69 57.56 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 116.535 -1.844 . . . . 25.0 110.099 174.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -135.49 116.12 13.84 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.213 -0.861 0 CA-C-O 125.163 2.411 . . . . 25.0 111.583 -179.05 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.039 0 N-CA-C 111.343 -0.703 . . . . 25.0 111.343 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 tt -59.68 -37.82 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 -171.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.59 -34.76 72.18 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 O-C-N 121.851 -0.53 . . . . 25.0 110.579 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -67.59 -43.26 80.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -61.11 -33.71 73.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.392 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -83.13 -24.92 32.38 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.175 0.806 . . . . 25.0 113.175 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.5 -58.55 2.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -175.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -81.72 -18.29 44.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.223 0.535 . . . . 25.0 110.452 -173.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.492 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 39.7 m -138.98 -165.65 1.88 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.235 -1.394 . . . . 25.0 107.235 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.404 HD13 ' HB2' ' B' ' 3' ' ' ASN . 30.3 mt -116.23 112.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 -173.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -85.29 146.96 26.79 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -81.63 169.88 16.49 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.15 -29.52 69.83 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 122.276 -0.265 . . . . 25.0 111.13 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -67.24 -36.26 81.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.595 0.712 . . . . 25.0 110.288 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -71.24 -37.51 72.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.87 -0.605 . . . . 25.0 109.48 177.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.93 -35.82 77.72 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 111.874 0.324 . . . . 25.0 111.874 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -55.35 -25.1 32.96 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -64.76 -26.84 68.53 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -67.77 -10.98 57.38 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.855 -0.528 . . . . 25.0 110.594 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.1 m -103.5 22.55 14.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.345 0.593 . . . . 25.0 110.278 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 . . . . . 0 C--O 1.213 -0.844 0 CA-C-O 125.104 2.383 . . . . 25.0 111.59 -177.476 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 p -137.14 143.44 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 107.322 -1.362 . . . . 25.0 107.322 -178.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.404 ' HB2' HD13 ' A' ' 10' ' ' ILE . 6.4 p30 -77.38 134.0 38.56 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.716 0.77 . . . . 25.0 111.528 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -160.24 152.05 20.06 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 104.426 -2.435 . . . . 25.0 104.426 170.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.0 m-70 -67.3 143.53 56.37 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.235 -1.394 . . . . 25.0 107.235 169.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.4 mt -128.9 105.31 8.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.138 1.162 . . . . 25.0 114.138 -171.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 70.8 m -127.55 154.46 45.15 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -137.07 50.53 Favored Glycine 0 C--O 1.229 -0.166 0 C-N-CA 120.817 -0.706 . . . . 25.0 113.261 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -27.77 65.15 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -62.03 -40.72 96.69 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 121.877 -0.514 . . . . 25.0 110.396 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.19 -40.52 90.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.008 0.432 . . . . 25.0 109.902 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.67 -44.91 98.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.057 -0.52 . . . . 25.0 110.597 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.41 -31.53 72.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.785 -0.572 . . . . 25.0 111.347 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.44 80.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.82 -32.84 74.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -58.14 -42.02 84.96 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 110.073 -0.343 . . . . 25.0 110.073 175.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.56 -42.01 68.36 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -74.5 -41.33 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.998 0.428 . . . . 25.0 111.386 -174.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -17.73 33.45 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.033 -0.667 . . . . 25.0 111.345 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.5 -154.58 52.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.608 -0.806 . . . . 25.0 112.658 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -65.81 -6.39 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.532 1.308 . . . . 25.0 114.532 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -69.35 -23.12 63.72 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.316 -0.24 . . . . 25.0 111.349 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.51 178.23 52.28 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 109.567 -1.413 . . . . 25.0 109.567 -175.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -163.94 -179.45 6.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.911 -1.885 . . . . 25.0 105.911 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -136.49 169.02 18.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -136.79 153.09 50.91 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.303 -1.739 . . . . 25.0 106.303 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.86 90.91 44.55 Favored Pre-proline 0 CA--C 1.55 0.971 0 CA-C-O 121.91 0.862 . . . . 25.0 110.829 -176.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -80.37 174.48 11.26 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 121.603 1.535 . . . . 25.0 110.33 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -142.44 156.05 45.15 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.204 -1.305 0 CA-C-O 123.917 1.818 . . . . 25.0 112.524 178.134 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.489 0 N-CA-C 111.278 -0.729 . . . . 25.0 111.278 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 tt -61.18 -32.35 52.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 117.805 0.803 . . . . 25.0 112.627 -171.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.43 -42.99 96.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 O-C-N 122.051 -0.406 . . . . 25.0 109.905 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -65.96 -42.21 90.21 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 122.068 -0.395 . . . . 25.0 110.195 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.73 -38.14 80.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.151 0.282 . . . . 25.0 110.955 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.3 m -81.3 -26.82 35.39 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.317 -0.553 . . . . 25.0 111.921 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 t -72.1 -54.09 10.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.188 0.518 . . . . 25.0 110.602 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -87.85 -18.56 28.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -174.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.45 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 23.9 p -142.49 -174.5 4.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.737 -0.468 . . . . 25.0 109.737 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -89.57 127.63 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 121.514 -0.741 . . . . 25.0 111.504 -168.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 m -109.89 119.12 38.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 168.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -76.15 169.24 18.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.741 -1.578 . . . . 25.0 106.741 175.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.57 -30.13 65.0 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -67.44 -36.84 82.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.434 0.635 . . . . 25.0 111.382 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -72.01 -33.59 68.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.378 0.608 . . . . 25.0 109.845 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.97 -32.1 73.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.661 -0.699 . . . . 25.0 111.73 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -57.31 -19.4 22.0 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -65.49 -26.99 68.17 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.676 -0.64 . . . . 25.0 112.194 176.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -73.85 -10.59 59.82 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.832 0.348 . . . . 25.0 111.585 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 131.21 42.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.184 -1.413 . . . . 25.0 107.184 178.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 114.609 1.337 . . . . 25.0 114.609 -178.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.93 -0.557 . . . . 25.0 109.781 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.42 141.34 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.541 -1.281 . . . . 25.0 107.541 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -69.13 136.09 51.69 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 120.911 0.386 . . . . 25.0 110.628 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -160.28 156.08 25.83 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.254 -2.498 . . . . 25.0 104.254 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.8 m-70 -67.99 141.95 56.1 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 106.124 -1.806 . . . . 25.0 106.124 169.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.3 mt -133.39 113.36 12.47 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.83 0.347 . . . . 25.0 110.906 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -141.64 154.76 45.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.51 -141.54 47.86 Favored Glycine 0 C--O 1.229 -0.163 0 C-N-CA 120.582 -0.818 . . . . 25.0 111.515 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -29.22 67.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -38.51 85.23 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 122.04 -0.413 . . . . 25.0 110.546 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 tp -67.19 -44.23 80.17 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.19 -43.8 98.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.009 0.433 . . . . 25.0 111.02 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -63.66 -35.02 79.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.165 0.507 . . . . 25.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.18 -38.83 69.0 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.17 -32.6 74.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.384 0.512 . . . . 25.0 112.384 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.55 -40.74 79.54 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 120.945 -0.302 . . . . 25.0 110.35 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.94 -43.85 64.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.03 0.752 . . . . 25.0 113.03 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.58 -42.66 71.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 25.0 111.308 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 m -86.18 -20.79 28.05 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.735 -0.386 . . . . 25.0 111.777 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.57 -129.9 20.96 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-O 122.205 0.892 . . . . 25.0 113.764 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -62.31 -21.53 65.33 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -23.18 61.1 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.636 -0.665 . . . . 25.0 112.385 -177.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.25 172.72 37.84 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.984 -0.846 . . . . 25.0 110.984 -175.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -160.02 176.69 11.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -130.62 161.2 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -145.68 140.75 27.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.4 118.39 31.13 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -86.0 154.64 9.85 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.211 1.274 . . . . 25.0 112.555 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -98.4 102.45 14.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.3 p . . . . . 0 C--O 1.209 -1.054 0 CA-C-O 122.906 1.336 . . . . 25.0 111.495 -179.266 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.098 0 CA-C-O 118.799 -1.001 . . . . 25.0 111.428 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -58.51 -43.2 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 119.409 1.605 . . . . 25.0 113.46 -172.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.26 -33.75 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 121.523 -0.735 . . . . 25.0 110.767 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.03 -44.31 89.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -38.22 88.72 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.234 -0.187 . . . . 25.0 111.367 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.5 m -73.79 -17.31 61.1 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.59 -51.46 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.052 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -76.27 -23.5 54.43 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.211 -0.306 . . . . 25.0 111.761 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.493 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 49.4 m -136.13 -169.08 2.35 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 107.948 -1.13 . . . . 25.0 107.948 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' B' ' 3' ' ' ASN . 33.7 mt -110.44 113.11 43.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.208 0.527 . . . . 25.0 111.714 -170.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 m -83.36 120.2 25.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 171.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.5 p -72.34 168.4 18.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 176.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -57.7 -30.01 65.16 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.963 -0.46 . . . . 25.0 111.577 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -67.11 -38.63 85.98 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 121.455 0.645 . . . . 25.0 111.127 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -70.64 -36.56 73.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.07 -32.09 73.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.186 -0.461 . . . . 25.0 112.022 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.93 -22.12 47.21 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -62.08 -27.59 69.02 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.91 -0.494 . . . . 25.0 112.093 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -77.22 -16.24 59.14 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.78 61.61 2.48 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.383 1.253 . . . . 25.0 114.383 -171.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.2 t30 . . . . . 0 C--O 1.208 -1.091 0 CA-C-O 124.348 2.023 . . . . 25.0 112.065 175.011 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.9 t80 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 119.008 -0.52 . . . . 25.0 109.668 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.2 143.64 34.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 106.59 -1.634 . . . . 25.0 106.59 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.404 ' HB2' HG21 ' A' ' 10' ' ' ILE . 8.4 p30 -72.88 137.16 45.48 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.112 -0.635 . . . . 25.0 110.507 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -160.3 147.03 15.79 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.362 -2.088 . . . . 25.0 105.362 171.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.493 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.3 m-70 -66.7 142.38 57.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 169.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -126.63 105.37 8.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.245 0.545 . . . . 25.0 111.869 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 45.1 m -118.57 148.66 42.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.347 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.06 -136.87 50.5 Favored Glycine 0 C--O 1.227 -0.286 0 C-N-CA 120.619 -0.8 . . . . 25.0 113.402 175.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -26.28 65.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.82 1.044 . . . . 25.0 113.82 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -38.52 84.38 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.664 -0.647 . . . . 25.0 109.622 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.29 -43.67 81.17 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.827 -0.435 . . . . 25.0 109.827 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.59 -44.1 96.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.733 0.302 . . . . 25.0 111.061 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -68.0 -29.73 68.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.942 -0.474 . . . . 25.0 111.548 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.61 70.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.14 -33.95 76.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.368 -0.378 . . . . 25.0 111.816 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.13 -39.46 78.79 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.616 -0.433 . . . . 25.0 110.302 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.82 -46.43 58.14 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.09 -44.65 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.262 0.553 . . . . 25.0 110.877 -173.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.1 m -84.04 -17.81 39.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.192 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.67 -154.97 38.11 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.381 -0.914 . . . . 25.0 112.424 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.89 -6.59 22.57 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -18.77 62.4 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.128 -0.357 . . . . 25.0 110.983 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.78 174.18 49.74 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.982 -0.627 . . . . 25.0 112.048 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -163.51 -179.45 6.48 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.798 -1.186 . . . . 25.0 107.798 -176.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -123.73 157.66 33.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -146.97 144.97 29.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.679 -1.23 . . . . 25.0 107.679 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.23 106.73 52.61 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -82.12 156.07 17.31 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 121.234 1.289 . . . . 25.0 112.89 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -89.85 96.26 10.61 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 175.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.214 -0.774 0 CA-C-O 125.002 2.334 . . . . 25.0 111.988 178.484 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.026 0 CA-C-O 118.517 -1.157 . . . . 25.0 111.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -62.81 -41.71 93.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 119.227 1.514 . . . . 25.0 113.279 -174.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 p -62.2 -30.21 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.459 0.647 . . . . 25.0 111.567 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.56 -40.52 97.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.82 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -64.87 -39.46 93.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.821 0.304 . . . . 25.0 111.821 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.1 m -78.85 -18.87 53.28 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.543 -0.463 . . . . 25.0 111.596 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -79.03 -42.63 26.06 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -85.18 -25.11 27.6 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.455 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.9 m -138.55 176.91 8.28 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.376 -0.827 . . . . 25.0 112.142 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -82.01 125.06 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 121.74 -0.6 . . . . 25.0 111.177 -170.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -110.91 101.64 10.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.351 -0.981 . . . . 25.0 108.351 171.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -71.19 169.86 14.22 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.65 -32.88 44.29 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 -177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -65.34 -38.94 91.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.542 0.687 . . . . 25.0 111.853 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -70.33 -38.81 74.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.009 -0.738 . . . . 25.0 109.009 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.69 -35.59 81.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.713 -0.676 . . . . 25.0 112.634 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -56.07 -26.43 49.4 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -64.35 -26.67 68.57 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -68.15 -21.25 64.92 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.283 0.563 . . . . 25.0 110.098 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.5 m -106.28 45.35 0.98 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.972 0.891 . . . . 25.0 109.673 -175.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 . . . . . 0 C--O 1.212 -0.887 0 CA-C-O 124.794 2.235 . . . . 25.0 111.858 -179.199 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.868 -0.587 . . . . 25.0 109.735 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 p -132.73 135.23 57.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 107.559 -1.274 . . . . 25.0 107.559 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -79.68 133.41 36.37 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 120.717 0.294 . . . . 25.0 110.505 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.11 154.64 23.9 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 174.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.7 m-70 -68.06 145.14 54.72 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 106.63 -1.619 . . . . 25.0 106.63 169.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 mt -132.79 116.01 16.02 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.64 0.257 . . . . 25.0 110.608 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 m -121.1 151.67 39.58 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.26 -134.94 41.11 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.076 -0.583 . . . . 25.0 114.099 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -59.43 -28.38 66.9 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 114.038 1.125 . . . . 25.0 114.038 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -62.48 -34.69 77.34 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.825 -0.547 . . . . 25.0 110.661 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.65 -43.44 80.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.62 -42.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.04 -0.527 . . . . 25.0 110.426 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -62.33 -36.25 81.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.007 0.432 . . . . 25.0 110.588 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.27 73.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.695 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.71 -32.64 74.2 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -60.16 -41.07 92.01 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.916 0.388 . . . . 25.0 110.262 176.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.4 mt -71.7 -45.15 62.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -72.62 -40.24 62.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.65 -172.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.0 m -94.88 -7.52 39.88 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.919 -177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.85 -155.97 51.94 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-O 122.592 1.107 . . . . 25.0 114.862 173.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -66.85 -6.3 15.76 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -66.21 -27.77 68.23 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.781 0.324 . . . . 25.0 111.435 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.36 -179.57 52.59 Favored Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 109.86 -1.296 . . . . 25.0 109.86 -174.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -166.91 179.21 5.38 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 106.456 -1.683 . . . . 25.0 106.456 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.66 163.48 24.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -139.46 143.29 37.49 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.791 -1.189 . . . . 25.0 107.791 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -106.91 98.18 20.44 Favored Pre-proline 0 C--O 1.241 0.651 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.58 173.17 14.91 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 118.406 -0.596 . . . . 25.0 111.191 176.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -117.49 95.5 4.99 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 122.303 1.049 . . . . 25.0 109.363 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.213 -0.824 0 CA-C-O 122.952 1.358 . . . . 25.0 111.319 -178.648 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.596 -0.601 . . . . 25.0 111.596 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.2 tt -62.08 -35.29 67.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -175.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.61 -36.84 77.45 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.445 0 O-C-N 121.797 -0.564 . . . . 25.0 110.394 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -65.76 -41.35 92.21 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.455 -0.778 . . . . 25.0 109.857 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.01 -40.51 85.16 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.141 0.275 . . . . 25.0 110.67 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -73.78 -37.44 64.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 177.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.5 m -70.65 -48.84 52.88 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.328 0.492 . . . . 25.0 112.328 -177.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -88.08 -23.14 23.8 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -173.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.445 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.8 t -140.33 -170.04 2.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.907 -0.496 . . . . 25.0 109.899 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.4 mm -97.53 108.58 21.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.3 p -91.86 142.87 27.09 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 173.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.8 p -84.92 169.08 14.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.703 0.287 . . . . 25.0 110.719 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -61.62 -28.03 69.07 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 120.881 0.372 . . . . 25.0 111.297 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -67.88 -38.55 83.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.264 0.554 . . . . 25.0 109.81 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.31 -36.72 77.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.104 -0.498 . . . . 25.0 110.123 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.13 -33.87 75.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.291 178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -61.12 -22.25 64.48 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 113.209 0.818 . . . . 25.0 113.209 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -65.18 -27.03 68.41 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.855 -0.528 . . . . 25.0 111.414 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -68.27 -17.5 64.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.035 0.445 . . . . 25.0 110.03 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.2 p -131.44 49.64 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 t30 . . . . . 0 C--O 1.209 -1.052 0 C-N-CA 126.702 2.001 . . . . 25.0 113.437 -179.38 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.6 t80 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.899 -0.572 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.32 129.22 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -71.79 130.31 40.77 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.685 0.755 . . . . 25.0 111.54 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -160.11 155.11 24.63 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 104.09 -2.559 . . . . 25.0 104.09 171.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.1 m-70 -66.41 141.57 57.89 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 106.431 -1.692 . . . . 25.0 106.431 170.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -129.31 111.93 13.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.987 0.422 . . . . 25.0 110.906 -174.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.39 157.61 44.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.42 -0.956 . . . . 25.0 108.42 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.38 -137.78 49.72 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.604 -0.808 . . . . 25.0 112.313 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.8 p -60.73 -29.32 69.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.92 -39.21 93.88 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.495 -0.753 . . . . 25.0 110.157 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.4 tp -66.92 -42.46 85.33 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.85 -45.53 98.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.509 -0.314 . . . . 25.0 110.946 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -68.59 -30.19 68.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.744 -0.597 . . . . 25.0 111.68 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.2 78.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.18 -33.71 76.66 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -57.0 -42.48 80.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.713 -0.395 . . . . 25.0 109.94 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.87 -44.26 64.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -75.2 -41.7 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 121.262 0.553 . . . . 25.0 111.407 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 83.6 m -78.72 -24.18 45.07 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.14 -141.7 47.47 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.708 -0.758 . . . . 25.0 112.485 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.1 -9.68 42.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -69.98 -26.05 63.91 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 122.108 -0.37 . . . . 25.0 111.046 178.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.78 179.31 49.7 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 109.471 -1.452 . . . . 25.0 109.471 -174.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -162.81 177.27 9.44 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -131.64 165.34 23.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -137.02 145.06 43.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 105.573 -2.01 . . . . 25.0 105.573 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.86 95.14 43.31 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 121.857 0.837 . . . . 25.0 110.16 -177.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.65 169.48 16.76 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 121.283 1.322 . . . . 25.0 110.574 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -145.47 164.28 32.05 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 107.085 -1.45 . . . . 25.0 107.085 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 45.6 p . . . . . 0 C--O 1.215 -0.734 0 CA-C-O 121.983 0.896 . . . . 25.0 109.503 170.615 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.875 0 CA-C-O 119.145 -0.809 . . . . 25.0 111.149 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -57.13 -37.04 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 118.384 1.092 . . . . 25.0 113.782 -171.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.98 -38.42 75.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 O-C-N 121.657 -0.652 . . . . 25.0 110.793 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -65.56 -45.02 84.95 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.441 -0.787 . . . . 25.0 108.946 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -58.93 -40.15 83.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.123 0.264 . . . . 25.0 110.663 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 m -73.2 -33.65 65.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.0 m -75.3 -48.58 22.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -88.17 -16.68 32.71 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.558 0.947 . . . . 25.0 113.558 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -139.15 -178.41 5.34 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.9 mm -74.11 119.25 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 121.477 -0.764 . . . . 25.0 110.571 -167.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.491 ' HB3' HD23 ' B' ' 6' ' ' LEU . 10.7 t -90.12 74.78 7.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -63.61 164.83 8.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.523 -0.762 . . . . 25.0 109.581 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -52.99 -30.72 36.78 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -64.88 -39.61 93.82 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.017 0.437 . . . . 25.0 111.657 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -69.36 -41.43 76.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.56 -36.9 84.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.046 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.5 -29.84 66.57 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -67.08 -26.65 66.82 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.446 0.535 . . . . 25.0 112.446 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -73.74 -21.17 60.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.72 0.295 . . . . 25.0 110.296 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.4 m -75.83 102.77 5.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.701 0.763 . . . . 25.0 110.432 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.207 -1.164 0 CA-C-O 124.04 1.876 . . . . 25.0 112.405 178.707 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 119.105 -0.474 . . . . 25.0 109.813 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 66.5 t -113.82 123.51 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.18 130.03 41.84 Favored 'General case' 0 CA--C 1.503 -0.832 0 C-N-CA 120.764 -0.374 . . . . 25.0 110.741 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -160.37 156.23 25.86 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 105.109 -2.182 . . . . 25.0 105.109 174.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -75.57 140.76 42.88 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 170.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 11' ' ' CYS . 1.4 mm? -126.79 124.38 39.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.479 0.581 . . . . 25.0 110.32 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 t -144.86 159.64 42.57 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.62 -142.77 48.14 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 121.029 -0.605 . . . . 25.0 112.315 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -27.48 67.28 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.587 0.588 . . . . 25.0 112.587 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -66.32 -29.11 69.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.842 -0.536 . . . . 25.0 111.478 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 tp -67.82 -41.79 82.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.23 -40.07 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.346 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.67 -34.61 77.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.861 0.362 . . . . 25.0 111.038 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.05 -34.68 64.14 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.075 -0.342 . . . . 25.0 110.075 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.1 mt -65.61 -30.65 71.4 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.998 0.37 . . . . 25.0 111.998 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -60.36 -36.7 78.64 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.554 175.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.95 -43.45 65.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.55 -39.18 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.009 0.433 . . . . 25.0 111.829 -172.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -21.32 40.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 176.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.65 -159.49 50.56 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.53 -0.843 . . . . 25.0 111.535 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.16 -6.19 12.61 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.09 -25.1 66.86 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.824 0.345 . . . . 25.0 110.458 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.39 171.93 48.15 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 111.722 -0.551 . . . . 25.0 111.722 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -164.16 176.67 9.02 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -136.18 163.36 30.55 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -140.42 141.11 35.55 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.739 -1.578 . . . . 25.0 106.739 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.5 p -121.42 94.13 48.66 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -70.32 154.69 65.3 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 117.873 -0.951 . . . . 25.0 109.783 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -135.41 110.81 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.654 -0.499 . . . . 25.0 109.654 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.21 -1.014 0 CA-C-O 124.489 2.09 . . . . 25.0 111.519 -178.216 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 111.533 -0.627 . . . . 25.0 111.533 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -61.93 -33.65 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 113.401 0.889 . . . . 25.0 113.401 -174.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.88 -42.53 82.56 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 O-C-N 121.841 -0.537 . . . . 25.0 109.591 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -65.23 -38.46 90.46 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.954 -0.298 . . . . 25.0 110.478 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -59.44 -36.18 75.43 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.376 0.139 . . . . 25.0 111.376 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.1 m -81.61 -35.15 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.67 -52.17 11.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.567 0.951 . . . . 25.0 113.567 -174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -87.83 -21.07 25.26 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.469 0.652 . . . . 25.0 111.757 -173.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.429 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 29.2 p -140.04 -170.68 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mm -96.48 134.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 106.908 -1.516 . . . . 25.0 106.908 -175.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -118.79 145.38 45.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.976 -1.49 . . . . 25.0 106.976 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.8 t -85.35 166.05 16.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.302 -0.408 . . . . 25.0 110.613 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.03 -27.87 63.95 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -65.34 -36.14 83.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.558 0.694 . . . . 25.0 110.682 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -72.36 -36.57 68.81 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.99 -0.745 . . . . 25.0 108.99 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.58 -36.86 84.05 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.207 -0.308 . . . . 25.0 110.563 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.76 -20.32 63.43 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 175.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.83 -27.09 65.53 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.596 -0.69 . . . . 25.0 110.728 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -74.21 -8.69 57.09 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.015 0.436 . . . . 25.0 111.213 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -77.1 155.96 32.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.519 0.675 . . . . 25.0 109.274 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 C--O 1.213 -0.83 0 CA-C-O 123.513 1.625 . . . . 25.0 111.33 176.626 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.8 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.993 -0.527 . . . . 25.0 109.701 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.48 116.25 43.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.03 127.43 32.54 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 120.41 -0.516 . . . . 25.0 110.472 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -159.0 151.52 21.62 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 104.222 -2.51 . . . . 25.0 104.222 173.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 66.7 m-70 -68.11 140.23 56.2 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 106.638 -1.615 . . . . 25.0 106.638 170.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.5 mt -126.95 106.6 9.41 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.009 0.523 . . . . 25.0 109.958 -174.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.27 160.28 40.32 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.237 -1.023 . . . . 25.0 108.237 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.56 -138.18 48.48 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.591 -0.814 . . . . 25.0 111.657 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 33.0 p -61.38 -30.32 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.04 -38.16 87.66 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.69 -0.631 . . . . 25.0 110.051 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.17 -45.98 75.34 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.17 -0.308 . . . . 25.0 110.17 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.07 -42.22 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.846 0.355 . . . . 25.0 111.088 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -67.74 -29.35 68.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.661 -0.649 . . . . 25.0 111.342 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.91 76.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.16 -34.22 77.86 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.635 0.235 . . . . 25.0 111.635 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.2 -39.36 86.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 120.964 -0.295 . . . . 25.0 110.208 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.1 mt -71.93 -45.75 60.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.28 -41.1 57.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.221 0.534 . . . . 25.0 111.319 -173.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -22.76 33.42 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.623 -0.831 . . . . 25.0 110.677 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.17 -148.53 50.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.194 -1.003 . . . . 25.0 111.089 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.63 -6.58 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.68 -26.39 67.01 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.003 0.371 . . . . 25.0 112.003 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.24 157.94 24.88 Favored Glycine 0 C--O 1.225 -0.421 0 C-N-CA 121.117 -0.564 . . . . 25.0 111.972 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -151.35 176.83 10.87 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 -176.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -131.87 159.83 37.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -146.39 139.53 25.68 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.872 -1.529 . . . . 25.0 106.872 177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.73 85.38 53.44 Favored Pre-proline 0 C--O 1.245 0.83 0 CA-C-O 121.758 0.789 . . . . 25.0 108.934 -175.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.79 155.17 63.03 Favored 'Trans proline' 0 CA--C 1.518 -0.316 0 C-N-CA 121.033 1.155 . . . . 25.0 111.038 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -137.22 132.4 33.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -175.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.205 -1.258 0 CA-C-O 123.787 1.756 . . . . 25.0 113.392 -177.903 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.269 0 CA-C-O 118.597 -1.113 . . . . 25.0 111.426 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -59.66 -42.53 88.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 119.728 1.764 . . . . 25.0 114.567 -171.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.12 -30.31 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.151 -0.968 . . . . 25.0 110.551 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.05 -33.45 76.06 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.804 -0.635 . . . . 25.0 109.99 -176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -59.8 -40.85 89.76 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 120.631 -0.427 . . . . 25.0 110.707 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.3 m -77.78 -22.14 50.63 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.4 m -86.83 -32.81 20.09 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.747 -0.381 . . . . 25.0 111.925 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -88.16 -35.83 17.18 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.521 0.563 . . . . 25.0 112.521 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -135.71 166.86 22.29 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 mm -81.48 118.12 28.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 119.772 -0.771 . . . . 25.0 109.549 -176.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -87.33 132.12 34.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p -81.34 171.1 15.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.87 -30.0 67.4 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -69.52 -37.2 77.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.207 0.527 . . . . 25.0 110.192 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -70.92 -39.73 72.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 mt -62.77 -31.98 73.05 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.77 -30.92 64.1 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.671 0.669 . . . . 25.0 111.231 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -68.31 -27.96 66.74 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.097 0.406 . . . . 25.0 112.097 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -70.75 -21.65 62.5 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 110.132 -0.321 . . . . 25.0 110.132 -177.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.6 p -121.97 25.39 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.771 0.796 . . . . 25.0 110.943 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 C--O 1.209 -1.079 0 CA-C-O 124.024 1.868 . . . . 25.0 113.084 -178.386 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 119.052 -0.499 . . . . 25.0 109.692 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -138.38 143.51 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 106.19 -1.782 . . . . 25.0 106.19 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -81.28 127.29 32.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.422 0.63 . . . . 25.0 110.77 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -160.06 140.8 12.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 104.845 -2.28 . . . . 25.0 104.845 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -70.39 132.76 46.12 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.692 -0.403 . . . . 25.0 110.84 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 mt -135.08 129.54 34.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -138.15 162.22 34.79 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.16 -138.06 45.72 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.462 -0.875 . . . . 25.0 111.743 178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.4 p -60.41 -28.45 68.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -68.94 -30.69 69.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.514 -0.741 . . . . 25.0 110.793 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.52 -34.51 65.27 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.28 -40.38 87.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.907 -0.775 . . . . 25.0 108.907 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -68.13 -25.89 65.51 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.912 -0.493 . . . . 25.0 111.917 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -43.68 79.55 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.55 -31.44 72.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.082 -0.508 . . . . 25.0 112.151 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -55.68 -44.53 77.4 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 174.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.86 -43.14 65.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.25 -43.92 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -172.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -18.42 32.26 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.077 -0.649 . . . . 25.0 109.758 177.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.96 -157.56 53.38 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.436 -0.887 . . . . 25.0 113.473 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -65.04 -6.58 9.09 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 116.215 1.932 . . . . 25.0 116.215 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -71.84 -13.29 61.64 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.112 0.869 . . . . 25.0 111.444 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.28 171.34 44.17 Favored Glycine 0 C--O 1.228 -0.276 0 N-CA-C 109.105 -1.598 . . . . 25.0 109.105 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -164.37 174.34 11.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -130.38 164.98 23.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.04 -1.467 . . . . 25.0 107.04 176.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -147.06 149.8 33.79 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.7 p -108.78 92.69 10.86 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-O 121.16 0.505 . . . . 25.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -77.92 174.82 11.98 Favored 'Trans proline' 0 C--N 1.348 0.538 0 CA-C-O 121.211 0.421 . . . . 25.0 112.863 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -148.98 156.39 42.2 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 104.194 -2.521 . . . . 25.0 104.194 174.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.315 -0.935 0 CA-C-O 123.778 1.751 . . . . 25.0 111.727 178.917 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.089 0 CA-C-O 119.198 -0.779 . . . . 25.0 111.519 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt -60.02 -29.16 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER -54.79 -28.84 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 178.112 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -63.77 -32.51 74.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.882 -0.512 . . . . 25.0 111.627 -175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -57.95 -39.99 79.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.804 0.335 . . . . 25.0 110.581 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.7 m -90.43 -21.18 22.04 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.369 -0.533 . . . . 25.0 111.821 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -71.25 -44.51 65.14 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.9 -0.407 . . . . 25.0 109.9 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -88.09 -19.09 27.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.16 1.171 . . . . 25.0 114.16 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -142.75 -178.67 5.91 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.724 -0.61 . . . . 25.0 112.332 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -84.99 127.9 39.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 -172.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.0 m -112.05 105.46 13.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.221 0.534 . . . . 25.0 110.124 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -67.05 165.75 15.13 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -54.24 -31.69 54.04 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -66.06 -38.54 88.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.44 0.638 . . . . 25.0 111.636 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -70.11 -37.35 75.33 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.44 -32.22 73.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.364 -0.835 . . . . 25.0 111.979 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -59.24 -18.97 41.78 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -66.92 -28.21 68.11 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.784 -0.572 . . . . 25.0 111.616 175.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.43 ' HB2' HD21 ' B' ' 15' ' ' LEU . 61.8 m-85 -88.18 -1.58 58.1 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.275 0.63 . . . . 25.0 110.384 -177.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -86.46 152.46 22.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -169.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 t30 . . . . . 0 C--O 1.217 -0.611 0 CA-C-O 124.077 1.894 . . . . 25.0 111.039 173.609 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.883 -0.58 . . . . 25.0 109.594 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 83.5 t -124.18 129.03 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -76.18 126.39 30.9 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 120.225 -0.59 . . . . 25.0 110.777 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -160.19 152.67 20.91 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 104.355 -2.461 . . . . 25.0 104.355 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -67.27 140.96 57.37 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.011 -1.478 . . . . 25.0 107.011 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.92 105.83 12.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.214 0.53 . . . . 25.0 110.041 -176.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.52 152.08 46.65 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.39 -135.23 47.91 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.413 -0.899 . . . . 25.0 111.837 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.4 p -60.53 -29.99 69.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -63.2 -35.61 80.88 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.74 -0.6 . . . . 25.0 110.983 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.8 tp -68.0 -47.77 67.59 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.384 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m -69.37 -34.01 60.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 120.075 -0.65 . . . . 25.0 111.008 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -64.71 -41.29 96.11 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.963 -0.461 . . . . 25.0 110.674 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.87 91.19 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' A' ' 19' ' ' TYR . 27.5 mt -66.12 -32.3 73.67 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -59.92 -37.43 79.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.78 -44.41 64.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.675 0.62 . . . . 25.0 112.675 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -68.42 -40.24 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.415 0.626 . . . . 25.0 110.635 -174.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.4 m -89.09 -23.85 22.41 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.67 -142.18 48.08 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.583 -1.407 . . . . 25.0 109.583 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -70.18 -6.33 33.63 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.576 1.324 . . . . 25.0 114.576 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.03 -25.12 64.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.69 -0.631 . . . . 25.0 111.92 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.94 177.38 50.58 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.186 -0.766 . . . . 25.0 111.186 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -156.92 -179.64 8.4 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.509 -1.663 . . . . 25.0 106.509 -176.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -130.13 168.23 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.587 0.708 . . . . 25.0 110.224 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -143.18 158.69 43.4 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.655 -1.98 . . . . 25.0 105.655 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.1 p -113.14 85.0 7.71 Favored Pre-proline 0 CA--C 1.544 0.736 0 CA-C-O 120.7 0.286 . . . . 25.0 111.165 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -81.08 -175.76 2.81 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 120.854 1.036 . . . . 25.0 111.717 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -118.83 97.34 5.66 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.212 -0.901 0 CA-C-O 124.827 2.251 . . . . 25.0 111.077 -179.556 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.52 -0.632 . . . . 25.0 111.52 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.2 tt -58.27 -33.47 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -175.029 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.69 -38.62 82.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 O-C-N 121.664 -0.647 . . . . 25.0 110.845 177.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -65.87 -44.81 84.28 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.447 -0.783 . . . . 25.0 109.766 177.576 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -59.67 -40.21 87.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.815 0.34 . . . . 25.0 110.563 -177.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.6 m -77.73 -20.71 53.04 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.6 t -87.17 -44.38 11.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.799 0.333 . . . . 25.0 111.115 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -84.86 -14.94 46.38 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -176.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -142.56 -178.21 5.66 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 122.03 -0.418 . . . . 25.0 109.948 177.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -74.29 120.91 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.561 0.696 . . . . 25.0 110.716 -169.312 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -94.45 102.39 14.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 178.207 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.6 p -78.93 166.29 22.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.92 -28.96 68.04 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.832 0.348 . . . . 25.0 111.451 179.118 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -67.38 -37.76 83.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.432 0.634 . . . . 25.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.17 -37.76 78.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.433 -0.581 . . . . 25.0 109.433 177.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.09 -37.02 83.45 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.38 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.91 -29.74 63.31 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.543 0.571 . . . . 25.0 112.543 178.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.13 -26.84 68.36 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.421 0.897 . . . . 25.0 113.421 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -74.2 -7.12 51.57 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.116 0.484 . . . . 25.0 111.411 -178.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.9 m -106.88 135.41 48.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.729 0.776 . . . . 25.0 110.081 -173.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 t30 . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 124.566 2.127 . . . . 25.0 112.005 -178.378 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.63 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.49 130.24 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -67.95 129.41 39.82 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.138 0.494 . . . . 25.0 111.318 178.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -159.72 155.53 26.14 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 104.86 -2.274 . . . . 25.0 104.86 171.65 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -69.07 143.22 54.3 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 168.385 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.09 108.22 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.98 0.419 . . . . 25.0 111.272 -177.116 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.3 m -122.23 150.76 41.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.74 -134.39 51.75 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 120.921 -0.657 . . . . 25.0 112.802 176.018 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -58.35 -31.03 67.22 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -59.86 -36.07 76.11 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.751 0.705 . . . . 25.0 110.636 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.4 tp -68.0 -45.21 74.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.987 0.423 . . . . 25.0 110.112 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -64.82 -43.14 96.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.187 -178.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.34 -34.29 77.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.892 0.377 . . . . 25.0 110.675 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.9 -34.18 66.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.779 0.323 . . . . 25.0 110.323 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.26 -34.16 77.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.825 0.306 . . . . 25.0 111.825 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -61.46 -35.81 78.67 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.946 -0.302 . . . . 25.0 110.365 176.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.88 -48.03 48.64 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 178.739 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.42 -42.12 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.51 -171.621 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -97.44 -8.19 29.94 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.624 -0.43 . . . . 25.0 112.078 -178.018 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.1 -154.56 51.37 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.212 -0.994 . . . . 25.0 113.213 175.546 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -68.27 -6.51 24.3 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.552 0.945 . . . . 25.0 113.552 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -67.48 -21.94 65.5 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 122.232 -0.293 . . . . 25.0 111.27 179.257 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.63 179.33 50.34 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.932 -0.652 . . . . 25.0 112.51 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -165.83 -177.7 4.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 -175.596 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -132.3 161.31 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 174.062 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -142.41 139.44 31.65 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 -178.492 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.5 p -111.93 95.46 29.19 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.208 -0.451 . . . . 25.0 111.002 -178.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -71.84 159.48 50.44 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 118.053 -0.831 . . . . 25.0 111.709 178.023 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 84.93 7.42 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 122.363 1.077 . . . . 25.0 109.428 178.819 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.21 -0.994 0 CA-C-O 124.441 2.067 . . . . 25.0 112.005 -178.432 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.797 0 N-CA-C 111.614 -0.594 . . . . 25.0 111.614 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 tt -63.43 -36.86 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 113.261 0.837 . . . . 25.0 113.261 -175.156 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p -67.33 -32.5 57.67 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.557 0 O-C-N 121.542 -0.724 . . . . 25.0 110.765 -179.176 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -68.73 -44.83 72.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.118 -0.697 . . . . 25.0 109.118 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.14 -39.44 82.39 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 123.062 0.226 . . . . 25.0 111.369 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.5 m -75.98 -36.74 59.12 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.2 m -75.39 -51.14 13.81 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 -177.223 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -87.95 -19.82 26.75 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.399 0.889 . . . . 25.0 113.399 -174.07 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -136.61 -175.29 3.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 -176.61 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -71.32 120.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 121.393 -0.817 . . . . 25.0 111.981 -166.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 t -94.34 90.52 6.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.911 -1.04 . . . . 25.0 108.21 178.02 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.8 p -77.54 165.95 23.68 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 -179.151 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.07 -28.98 66.98 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 111.906 0.336 . . . . 25.0 111.906 179.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.79 -37.82 82.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.335 0.588 . . . . 25.0 110.927 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.37 -40.44 81.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.642 -0.873 . . . . 25.0 108.642 177.255 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.2 -36.94 83.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.951 -0.568 . . . . 25.0 112.226 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.39 -30.98 67.23 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 178.302 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.85 -26.82 66.23 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -177.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -72.27 -6.79 45.55 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.085 0.469 . . . . 25.0 110.903 179.504 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.7 m -110.47 40.16 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.01 0.909 . . . . 25.0 110.378 -175.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 C--O 1.213 -0.845 0 CA-C-O 123.428 1.585 . . . . 25.0 111.204 -179.484 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.059 -0.349 . . . . 25.0 110.059 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.6 t -95.82 112.42 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -64.7 134.75 54.87 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 178.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -159.91 159.71 32.69 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 105.326 -2.101 . . . . 25.0 105.326 175.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -68.24 137.64 54.92 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 170.182 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.3 mt -135.66 121.86 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.922 0.392 . . . . 25.0 111.08 -175.812 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -144.58 164.24 31.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.04 -143.88 48.62 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.821 -0.704 . . . . 25.0 112.311 178.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -27.72 68.72 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -63.47 -36.04 82.44 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 122.089 -0.382 . . . . 25.0 110.449 178.133 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.8 tp -67.15 -43.08 83.22 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 178.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.89 -42.63 96.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.919 -179.461 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -63.77 -34.66 78.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.03 0.443 . . . . 25.0 110.935 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.68 -36.37 73.28 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.789 -0.364 . . . . 25.0 110.474 179.422 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.98 -35.93 82.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.564 -0.289 . . . . 25.0 111.674 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -59.03 -38.36 79.12 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 110.139 -0.319 . . . . 25.0 110.139 176.576 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.8 mt -71.77 -48.43 46.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.791 1.034 . . . . 25.0 113.791 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.64 -40.8 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.231 0.538 . . . . 25.0 110.936 -171.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -99.93 -10.89 21.16 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.824 0.676 . . . . 25.0 112.824 -175.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.25 -140.95 38.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.04 -1.076 . . . . 25.0 113.748 176.673 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -7.27 36.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 116.595 2.072 . . . . 25.0 116.595 -176.455 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -75.21 -15.21 60.56 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 119.02 0.827 . . . . 25.0 111.576 -177.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.24 176.97 51.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.192 -0.528 . . . . 25.0 112.459 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -167.57 179.25 4.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.06 -2.2 . . . . 25.0 105.06 -177.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -128.76 162.42 27.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.453 0.644 . . . . 25.0 110.202 174.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -141.37 159.66 41.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 105.51 -2.033 . . . . 25.0 105.51 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.1 p -105.86 93.21 7.21 Favored Pre-proline 0 C--O 1.247 0.96 0 CA-C-O 120.903 0.382 . . . . 25.0 111.464 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.54 168.18 25.42 Favored 'Trans proline' 0 C--N 1.35 0.62 0 N-CA-C 110.594 -0.579 . . . . 25.0 110.594 177.515 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -106.08 98.87 8.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 -176.015 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.212 -0.874 0 CA-C-O 124.456 2.074 . . . . 25.0 111.134 -175.81 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 111.657 -0.577 . . . . 25.0 111.657 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.1 tt -64.07 -36.99 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 -175.129 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.84 -31.76 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 121.874 -0.516 . . . . 25.0 110.738 -179.257 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -65.62 -42.57 91.4 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 121.797 -0.564 . . . . 25.0 109.706 177.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -57.76 -45.1 86.37 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 110.19 -0.3 . . . . 25.0 110.19 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 m -75.14 -28.18 60.07 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.61 -0.436 . . . . 25.0 111.945 -176.663 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -73.87 -53.35 10.39 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.031 -0.268 . . . . 25.0 111.65 178.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -88.1 -16.58 33.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -172.317 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.433 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.7 t -141.95 -168.31 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 178.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.39 116.22 50.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 O-C-N 121.73 -0.606 . . . . 25.0 109.579 -176.033 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.9 m -75.75 130.98 39.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 173.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.7 p -74.09 166.6 23.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.864 -1.532 . . . . 25.0 106.864 174.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.81 -31.83 68.81 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 120.849 -0.341 . . . . 25.0 111.284 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -65.16 -38.46 90.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.428 0.632 . . . . 25.0 111.5 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -69.49 -39.48 77.62 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.6 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.38 -35.47 80.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.327 0.491 . . . . 25.0 112.327 179.222 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -55.22 -30.23 59.59 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 177.659 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -62.66 -26.87 68.86 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 -179.49 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -62.85 -22.66 66.84 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 122.26 -0.275 . . . . 25.0 110.787 178.51 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.6 p -130.93 44.74 2.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.073 0.94 . . . . 25.0 109.402 175.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 C--O 1.21 -0.975 0 CA-C-O 124.051 1.882 . . . . 25.0 112.26 -179.078 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.76 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.99 123.64 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.26 126.84 31.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 120.266 -0.574 . . . . 25.0 110.344 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -160.18 149.78 17.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 174.475 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.4 m-70 -72.67 141.56 48.26 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 173.461 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.3 mt -130.27 105.35 7.85 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.629 0.371 . . . . 25.0 110.702 -172.159 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 t -133.33 -17.46 2.33 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.01 1.485 . . . . 25.0 115.01 -177.286 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.76 -137.3 6.36 Favored Glycine 0 C--O 1.229 -0.192 0 N-CA-C 110.092 -1.203 . . . . 25.0 110.092 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.2 p -55.95 -26.9 50.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.986 0.422 . . . . 25.0 111.719 176.258 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -55.61 -36.25 66.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 177.074 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.4 tp -67.98 -40.13 83.19 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.593 -0.521 . . . . 25.0 109.593 -177.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.1 t -67.25 -42.97 88.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.229 0.538 . . . . 25.0 110.106 177.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.73 -34.86 78.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.456 . . . . 25.0 110.674 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.93 74.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.502 -0.317 . . . . 25.0 110.315 179.558 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -65.2 -29.69 70.53 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -178.187 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -58.5 -42.41 87.59 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.068 0.461 . . . . 25.0 110.175 174.649 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.4 mt -71.99 -44.07 64.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.063 0.458 . . . . 25.0 112.161 -178.083 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -75.4 -41.46 42.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.82 -172.259 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -16.45 47.11 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.439 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.82 -158.59 53.72 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-O 121.939 0.744 . . . . 25.0 113.249 177.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.99 -6.41 16.75 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -178.287 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -65.66 -24.71 67.09 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.708 0.289 . . . . 25.0 111.516 178.218 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.38 174.52 50.39 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 108.725 -1.75 . . . . 25.0 108.725 -174.476 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -163.05 177.26 9.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 -176.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -131.14 160.65 34.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 173.629 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -150.12 140.97 22.79 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 178.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.9 p -95.04 105.64 20.56 Favored Pre-proline 0 C--O 1.242 0.69 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.485 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -73.8 153.0 47.93 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 115.917 -2.255 . . . . 25.0 112.367 -179.381 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -85.52 94.97 9.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.207 -1.146 0 CA-C-O 123.169 1.462 . . . . 25.0 112.137 -177.411 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.785 0 CA-C-O 118.136 -1.369 . . . . 25.0 111.267 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -56.2 -38.19 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 119.256 1.528 . . . . 25.0 113.834 -170.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.37 -42.4 96.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.602 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -65.23 -40.5 94.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.364 -0.21 . . . . 25.0 111.102 179.383 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -60.9 -43.67 98.19 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 120.483 -0.487 . . . . 25.0 110.012 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 m -73.23 -29.88 63.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.2 t -70.11 -51.13 34.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.835 0.35 . . . . 25.0 110.589 -178.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 t -87.97 -22.69 24.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 -174.526 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.48 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.7 t -137.62 -176.99 4.6 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.512 -0.742 . . . . 25.0 110.858 -178.437 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -70.55 122.05 21.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 122.073 0.939 . . . . 25.0 112.103 -166.03 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -94.91 86.17 4.59 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 177.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.8 p -73.99 171.58 13.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.676 -0.693 . . . . 25.0 109.215 -179.459 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.45 -27.84 66.44 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 122.315 -0.241 . . . . 25.0 111.245 178.057 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -71.28 -38.31 71.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.091 0.472 . . . . 25.0 110.46 179.379 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -67.0 -39.83 87.21 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 177.587 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.64 -36.99 85.3 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.897 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.15 -31.43 68.96 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.095 -0.378 . . . . 25.0 111.906 177.12 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -66.02 -26.83 67.71 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.578 0.584 . . . . 25.0 112.578 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.1 -26.35 63.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.897 0.379 . . . . 25.0 110.21 177.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -73.64 135.7 43.81 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--O 1.207 -1.143 0 CA-C-O 123.914 1.816 . . . . 25.0 112.501 -179.925 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 119.001 -0.524 . . . . 25.0 109.774 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -132.67 143.55 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 106.703 -1.591 . . . . 25.0 106.703 -178.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -64.36 137.73 58.05 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.278 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -160.05 140.0 11.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.43 -0.805 . . . . 25.0 109.802 176.408 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.7 m-70 -74.29 141.09 45.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.272 -1.751 . . . . 25.0 106.272 166.368 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -138.44 119.37 14.31 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 117.986 0.357 . . . . 25.0 110.105 -177.179 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -131.49 -57.05 1.01 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -176.359 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.74 -143.35 4.78 Favored Glycine 0 C--O 1.224 -0.512 0 C-N-CA 121.336 -0.459 . . . . 25.0 112.234 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -26.26 8.03 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.314 1.227 . . . . 25.0 114.314 179.322 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -56.46 -36.38 68.99 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 175.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.57 -42.18 82.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.182 0.515 . . . . 25.0 110.186 -178.772 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.95 -42.62 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.369 179.717 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.45 -32.69 74.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.02 0.438 . . . . 25.0 111.321 -179.605 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.57 -34.52 65.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.876 0.369 . . . . 25.0 110.25 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.49 -30.7 71.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -59.24 -39.82 84.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.948 0.404 . . . . 25.0 110.15 175.736 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.0 mt -71.9 -44.62 63.42 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.481 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.05 -39.92 21.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.894 0.378 . . . . 25.0 111.364 -172.444 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -22.64 47.63 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.81 -0.756 . . . . 25.0 109.447 177.44 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.72 -148.43 50.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.345 -0.931 . . . . 25.0 111.83 179.103 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.28 -6.44 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -178.595 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -66.34 -26.85 67.48 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.016 -0.428 . . . . 25.0 111.407 178.343 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.83 168.4 39.25 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 109.127 -1.589 . . . . 25.0 109.127 -174.616 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -157.63 176.7 12.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -177.192 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -130.96 162.62 29.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 175.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -150.96 155.01 38.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 177.437 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 60.0 p -115.28 85.02 12.21 Favored Pre-proline 0 C--O 1.245 0.826 0 CA-C-O 120.878 0.37 . . . . 25.0 110.729 179.004 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.62 157.75 48.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 N-CA-C 111.002 -0.422 . . . . 25.0 111.002 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -138.62 111.96 8.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 -178.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.207 -1.143 0 CA-C-O 123.566 1.65 . . . . 25.0 113.315 -177.009 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.088 0 CA-C-O 118.924 -0.931 . . . . 25.0 111.638 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt -63.96 -35.16 72.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 118.979 1.39 . . . . 25.0 113.792 -174.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p -66.74 -37.42 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 121.154 -0.966 . . . . 25.0 109.438 177.042 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -65.55 -36.51 84.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.287 -0.415 . . . . 25.0 110.112 179.146 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.84 -45.16 93.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.824 0.345 . . . . 25.0 110.659 179.297 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -79.91 -12.65 59.72 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.294 0.479 . . . . 25.0 112.294 -179.493 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -86.98 -42.68 12.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 25.0 110.032 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -83.94 -26.59 29.16 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 -177.672 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.447 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 12.2 t -136.38 179.01 6.62 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 107.299 -1.371 . . . . 25.0 107.299 177.557 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.77 114.94 36.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 118.881 0.764 . . . . 25.0 109.117 -176.221 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.1 m -75.93 118.05 18.31 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.663 -1.606 . . . . 25.0 106.663 171.646 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.3 p -71.77 170.74 12.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.351 -1.352 . . . . 25.0 107.351 176.66 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.07 -30.05 63.98 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -179.625 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -69.02 -37.99 78.96 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 121.27 0.557 . . . . 25.0 111.173 179.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -72.37 -38.47 68.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.001 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.13 -32.41 73.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.929 -0.578 . . . . 25.0 112.067 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -56.03 -27.09 51.73 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 176.559 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.54 -26.76 68.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -69.61 -18.18 63.59 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.63 0.253 . . . . 25.0 111.226 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.4 p -134.75 40.39 2.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.224 1.012 . . . . 25.0 109.727 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 . . . . . 0 C--O 1.208 -1.079 0 CA-C-O 124.001 1.858 . . . . 25.0 112.454 178.631 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.7 t80 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 119.058 -0.496 . . . . 25.0 109.747 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.16 128.75 71.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 179.148 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -71.54 127.74 33.57 Favored 'General case' 0 CA--C 1.506 -0.735 0 C-N-CA 120.106 -0.637 . . . . 25.0 109.848 -179.445 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -158.64 151.42 22.19 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 103.075 -2.935 . . . . 25.0 103.075 173.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.8 m-70 -66.77 142.91 57.21 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 175.085 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.05 112.98 21.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.999 0.428 . . . . 25.0 110.078 -176.639 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.42 151.01 50.92 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 179.342 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.54 -139.95 48.27 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.689 -0.767 . . . . 25.0 112.271 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -26.44 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -61.71 -30.07 70.52 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.84 -0.538 . . . . 25.0 111.008 178.718 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.53 -41.56 72.39 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-O 120.867 0.365 . . . . 25.0 110.253 178.215 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.6 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.43 0.633 . . . . 25.0 109.83 178.543 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -63.66 -35.97 82.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.086 -0.506 . . . . 25.0 111.024 179.486 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.76 -38.71 73.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.961 0.41 . . . . 25.0 110.27 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.59 -31.69 73.02 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -178.098 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.93 -41.69 83.28 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.712 -0.395 . . . . 25.0 110.705 176.348 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.95 -43.01 65.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.55 -43.2 48.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.89 0.376 . . . . 25.0 111.476 -173.3 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -80.97 -20.22 42.39 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.199 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.95 -152.4 51.87 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.557 -0.83 . . . . 25.0 112.426 178.733 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -68.07 -6.15 21.26 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.036 1.125 . . . . 25.0 114.036 -178.213 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -68.72 -25.9 64.99 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.782 0.325 . . . . 25.0 110.534 177.293 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.33 179.68 52.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 110.587 -1.005 . . . . 25.0 110.587 -176.377 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -164.57 177.53 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 -178.102 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -128.42 160.15 33.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 176.266 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -147.34 140.5 25.2 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 179.222 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -94.78 107.84 33.58 Favored Pre-proline 0 C--O 1.241 0.649 0 N-CA-C 110.521 -0.177 . . . . 25.0 110.521 179.273 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -74.35 170.57 19.91 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 118.201 -0.733 . . . . 25.0 112.724 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.82 102.46 8.21 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.434 -1.321 . . . . 25.0 107.434 176.701 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.21 -1.009 0 CA-C-O 125.238 2.447 . . . . 25.0 112.788 -177.377 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.57 -0.612 . . . . 25.0 111.57 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -61.56 -35.25 65.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.712 1.005 . . . . 25.0 113.712 -174.08 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 p -69.44 -33.38 57.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.724 -0.61 . . . . 25.0 110.664 179.374 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -67.28 -46.01 74.89 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 176.609 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -59.59 -39.98 85.94 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.708 -179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.1 m -72.92 -28.55 62.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.542 0.941 . . . . 25.0 113.542 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.04 -48.04 11.89 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -86.01 -19.39 30.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -174.7 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -141.67 -176.29 4.7 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 178.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.82 122.17 19.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.819 0.819 . . . . 25.0 111.88 -167.341 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -91.65 85.76 5.78 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 106.996 -1.483 . . . . 25.0 106.996 176.004 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -72.48 167.69 20.07 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.001 -0.741 . . . . 25.0 109.001 -178.329 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.49 -29.4 67.81 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 121.107 -0.237 . . . . 25.0 111.512 179.338 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -67.68 -38.97 84.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.341 0.591 . . . . 25.0 110.971 179.057 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -66.17 -40.21 90.33 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 176.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -64.77 -37.03 86.22 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.36 -34.73 70.98 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.93 -0.481 . . . . 25.0 111.813 177.429 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -64.79 -26.89 68.54 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -178.639 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -68.07 -25.21 65.23 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.971 -0.455 . . . . 25.0 110.46 178.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.2 m -82.54 109.3 16.62 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 178.371 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.206 -1.189 0 CA-C-O 123.998 1.856 . . . . 25.0 113.4 -179.29 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 91.6 t80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 119.03 -0.509 . . . . 25.0 110.027 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.53 120.48 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -64.53 134.75 55.07 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 120.789 0.328 . . . . 25.0 111.134 -179.503 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.12 158.52 30.42 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 105.402 -2.073 . . . . 25.0 105.402 175.889 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -69.43 142.62 53.8 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 105.896 -1.89 . . . . 25.0 105.896 168.607 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.8 mt -136.53 127.56 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 -174.782 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -138.03 164.11 29.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 176.085 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.13 -140.96 38.25 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 114.457 0.543 . . . . 25.0 114.457 173.166 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -29.17 68.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -64.52 -35.44 80.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.152 -0.343 . . . . 25.0 111.006 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.15 -41.7 90.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.486 -0.561 . . . . 25.0 109.486 178.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.06 -40.79 86.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.207 -0.451 . . . . 25.0 110.986 179.08 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -61.41 -35.31 77.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.138 0.494 . . . . 25.0 110.513 178.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -34.03 65.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.907 -179.228 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.42 -34.08 77.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.425 -0.172 . . . . 25.0 111.279 179.431 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -59.68 -38.05 80.47 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 120.653 0.263 . . . . 25.0 110.441 175.454 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.97 -44.0 64.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -179.383 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.5 -42.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.797 -171.789 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.64 -11.99 40.94 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.956 -0.698 . . . . 25.0 110.817 179.039 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.93 -148.05 46.14 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-O 122.532 1.074 . . . . 25.0 113.788 175.551 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -15.02 61.85 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 116.084 1.883 . . . . 25.0 116.084 -176.784 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -73.3 -14.9 61.39 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.293 0.497 . . . . 25.0 111.569 -177.321 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.22 178.51 52.42 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-O 121.651 0.584 . . . . 25.0 112.952 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -166.41 178.39 6.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 103.702 -2.703 . . . . 25.0 103.702 -177.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -134.7 162.49 32.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 170.708 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -146.42 149.5 33.84 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 106.133 -1.803 . . . . 25.0 106.133 179.078 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.9 p -111.54 87.46 7.99 Favored Pre-proline 0 C--O 1.246 0.886 0 CA-C-O 120.717 0.294 . . . . 25.0 111.377 -178.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -72.85 159.3 48.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 N-CA-C 110.505 -0.614 . . . . 25.0 110.505 178.806 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -136.28 112.89 10.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 -178.435 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.21 -0.992 0 CA-C-O 124.927 2.299 . . . . 25.0 112.174 -178.218 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 CA-C-O 119.542 -0.588 . . . . 25.0 111.639 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.03 -36.2 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 113.845 1.054 . . . . 25.0 113.845 -174.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.27 -35.97 75.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 O-C-N 121.656 -0.653 . . . . 25.0 110.089 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -65.44 -43.3 90.86 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.734 -0.604 . . . . 25.0 109.38 177.552 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -57.05 -46.78 82.18 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.264 0.353 . . . . 25.0 110.221 179.488 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.2 m -72.43 -33.46 67.12 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -177.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.5 m -73.04 -53.42 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 t -87.92 -16.19 34.55 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -172.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -144.79 -175.54 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.93 -0.481 . . . . 25.0 109.731 -178.632 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mm -68.23 121.52 17.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.807 0.813 . . . . 25.0 111.787 -167.224 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.58 150.02 20.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 104.835 -2.283 . . . . 25.0 104.835 173.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -141.97 167.38 22.28 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 179.417 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.84 -33.45 66.78 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 112.244 0.461 . . . . 25.0 112.244 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -66.22 -40.22 90.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.173 0.511 . . . . 25.0 111.082 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -69.98 -39.52 75.91 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 178.6 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.6 mt -60.89 -37.03 80.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.213 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.77 -35.3 68.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 177.036 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -65.55 -26.9 68.09 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.435 0.902 . . . . 25.0 113.435 -177.805 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -68.95 -20.96 64.21 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.141 -0.349 . . . . 25.0 110.96 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.6 m -82.31 152.22 26.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 -179.433 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 t30 . . . . . 0 C--O 1.213 -0.864 0 CA-C-O 124.509 2.1 . . . . 25.0 111.75 178.282 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.9 t80 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 72.4 t -128.23 131.14 69.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 105.802 -1.925 . . . . 25.0 105.802 179.123 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -89.45 141.21 28.77 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -177.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.39 164.53 32.31 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 104.479 -2.415 . . . . 25.0 104.479 170.933 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -61.1 125.91 25.43 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.811 -1.086 . . . . 25.0 110.275 176.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.52 120.78 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 123.736 0.815 . . . . 25.0 111.194 -177.1 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -142.85 158.85 43.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 177.65 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.86 -139.14 46.44 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.009 178.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -60.43 -28.64 68.44 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.868 0.692 . . . . 25.0 112.868 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -62.84 -36.63 83.86 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.661 -0.649 . . . . 25.0 110.623 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.26 -41.86 84.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 -179.423 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.72 -44.78 98.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.039 -0.528 . . . . 25.0 110.986 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -67.91 -28.25 67.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.689 -0.632 . . . . 25.0 111.814 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.59 -38.52 70.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 177.131 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.56 -35.28 80.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.476 -0.329 . . . . 25.0 111.828 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -57.01 -41.64 78.85 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 110.356 -0.239 . . . . 25.0 110.356 176.009 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.01 -43.87 64.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -179.064 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -73.96 -41.8 52.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.002 0.429 . . . . 25.0 111.534 -173.312 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -16.88 33.88 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.733 -0.787 . . . . 25.0 111.32 179.382 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.81 -147.07 50.27 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.404 -0.903 . . . . 25.0 112.973 176.596 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.3 mp0 -68.27 -8.01 35.73 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -177.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -70.94 -22.66 62.19 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.603 0.239 . . . . 25.0 110.598 178.87 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.24 176.7 51.14 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.287 -0.725 . . . . 25.0 111.287 -177.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -162.3 178.86 8.32 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 -177.224 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -136.27 164.63 27.64 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.68 -1.23 . . . . 25.0 107.68 174.332 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -148.3 147.27 29.12 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 105.232 -2.136 . . . . 25.0 105.232 177.089 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.5 p -118.82 85.0 27.02 Favored Pre-proline 0 C--O 1.24 0.57 0 CA-C-O 121.379 0.609 . . . . 25.0 111.717 -176.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -73.83 170.68 19.49 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 119.824 0.35 . . . . 25.0 112.091 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -134.55 132.37 39.05 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.227 -1.768 . . . . 25.0 106.227 177.529 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.21 -1.016 0 CA-C-O 124.39 2.043 . . . . 25.0 110.928 -176.149 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 CA-C-O 119.033 -0.871 . . . . 25.0 111.257 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.5 tt -59.57 -31.37 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 118.489 1.145 . . . . 25.0 112.796 -175.683 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.49 -40.6 88.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 122.166 -0.334 . . . . 25.0 110.6 178.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -63.55 -44.84 93.02 Favored 'General case' 0 CA--C 1.51 -0.572 0 O-C-N 121.971 -0.456 . . . . 25.0 110.831 179.152 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -59.32 -39.56 83.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.149 0.281 . . . . 25.0 110.895 -175.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.8 m -80.03 -29.18 39.27 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.956 0.354 . . . . 25.0 111.956 -178.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.1 t -71.95 -48.43 45.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.911 0.386 . . . . 25.0 110.281 -179.267 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -88.06 -19.6 26.89 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 114.348 1.24 . . . . 25.0 114.348 -176.015 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.2 t -141.51 -174.75 4.13 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 121.751 -0.593 . . . . 25.0 110.942 -177.799 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.65 117.15 32.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 121.669 -0.644 . . . . 25.0 110.908 -170.51 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 m -98.76 108.06 20.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 172.509 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -73.35 168.65 18.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 174.735 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -52.85 -30.42 33.58 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 113.737 1.014 . . . . 25.0 113.737 -177.58 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.38 -38.54 90.34 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.225 0.536 . . . . 25.0 111.755 -179.492 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -74.58 -38.37 62.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.609 0.719 . . . . 25.0 109.464 178.313 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.28 -34.91 79.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.377 -0.828 . . . . 25.0 112.5 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -53.11 -28.76 27.06 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.202 0.815 . . . . 25.0 113.202 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -61.57 -26.92 68.26 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -71.88 -6.63 43.18 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.287 0.565 . . . . 25.0 111.051 179.042 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 m -110.55 140.76 44.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.883 -1.155 . . . . 25.0 107.883 -177.802 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 114.39 1.256 . . . . 25.0 114.39 -175.699 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.3 t80 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 119.019 -0.515 . . . . 25.0 109.781 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.72 121.92 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -73.49 130.25 39.69 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.171 0.51 . . . . 25.0 110.593 -178.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -160.08 151.98 20.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 104.672 -2.344 . . . . 25.0 104.672 174.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.2 m-70 -72.74 143.86 47.84 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.747 -1.575 . . . . 25.0 106.747 168.316 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.09 111.41 17.42 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.624 0.37 . . . . 25.0 110.99 -177.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.21 153.35 42.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 178.207 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.34 -143.24 48.54 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.558 -0.829 . . . . 25.0 111.719 -179.398 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.6 t -59.8 -29.15 68.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.639 0.607 . . . . 25.0 112.639 179.487 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -36.65 75.96 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.625 -0.672 . . . . 25.0 110.762 178.373 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp -68.17 -44.08 76.77 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.54 -44.92 99.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.121 0.486 . . . . 25.0 110.822 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -67.46 -30.76 70.57 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.174 -0.329 . . . . 25.0 111.673 -178.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.35 79.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.923 -0.486 . . . . 25.0 110.028 178.01 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.09 -31.78 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.49 0.552 . . . . 25.0 112.49 -177.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -59.21 -41.17 87.95 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 174.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.0 mt -71.8 -44.92 63.14 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.3 -44.83 77.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.813 -0.63 . . . . 25.0 112.367 -171.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 94.8 m -94.9 -8.79 36.15 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.568 -0.453 . . . . 25.0 111.214 -178.155 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.86 -145.18 45.98 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-O 122.395 0.997 . . . . 25.0 113.661 174.603 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -68.96 -6.94 30.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -175.847 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -74.84 -15.38 60.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.276 0.944 . . . . 25.0 111.542 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.87 175.9 51.04 Favored Glycine 0 CA--C 1.517 0.172 0 N-CA-C 111.634 -0.587 . . . . 25.0 111.634 -177.133 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -164.62 176.52 8.82 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 -177.607 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -132.96 168.97 17.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 173.737 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -130.29 145.97 51.83 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.499 -1.296 . . . . 25.0 107.499 178.396 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.66 98.33 20.24 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 108.547 -0.908 . . . . 25.0 108.547 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.89 170.78 17.51 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 121.555 1.503 . . . . 25.0 111.469 -178.734 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -152.25 158.08 42.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 105.515 -2.031 . . . . 25.0 105.515 178.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.316 -0.872 0 CA-C-O 123.754 1.74 . . . . 25.0 111.618 177.886 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.807 0 CA-C-O 119.069 -0.851 . . . . 25.0 111.576 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -61.12 -39.59 82.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 118.673 1.236 . . . . 25.0 114.123 -173.156 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p -67.51 -34.88 71.17 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 O-C-N 121.726 -0.609 . . . . 25.0 110.052 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -65.78 -43.2 89.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.778 -0.453 . . . . 25.0 109.778 178.41 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.01 -41.23 97.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.373 -0.376 . . . . 25.0 110.501 -179.777 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.5 m -72.68 -28.06 62.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.477 0.547 . . . . 25.0 112.477 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -72.08 -45.04 62.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.253 -0.43 . . . . 25.0 110.436 178.337 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -87.76 -19.68 27.22 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -175.093 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.1 p -137.16 179.0 6.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.702 -0.624 . . . . 25.0 110.576 -177.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -74.84 115.42 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.829 0.823 . . . . 25.0 109.282 -170.682 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 t -88.46 75.73 8.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.995 -1.002 . . . . 25.0 108.298 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 m -64.82 168.39 6.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.617 -0.72 . . . . 25.0 110.481 -179.313 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.85 -27.89 45.79 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -67.67 -38.1 83.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.19 0.519 . . . . 25.0 110.89 178.249 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -71.32 -38.72 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 178.469 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.02 -34.56 78.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.623 -0.717 . . . . 25.0 112.082 179.514 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.35 -26.61 65.21 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 122.071 -0.393 . . . . 25.0 111.935 176.6 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.69 -27.0 62.74 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 122.028 -0.42 . . . . 25.0 111.614 178.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -79.06 -28.13 43.15 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 175.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 t -75.19 95.49 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.831 -1.077 . . . . 25.0 112.331 -170.717 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 C--O 1.213 -0.847 0 CA-C-O 124.521 2.105 . . . . 25.0 111.419 -179.997 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.2 t80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 119.016 -0.516 . . . . 25.0 109.766 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.2 t -120.93 126.97 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.32 125.74 29.6 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 120.145 -0.622 . . . . 25.0 110.936 -178.541 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -160.28 153.71 22.2 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 104.283 -2.488 . . . . 25.0 104.283 173.213 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -68.51 144.71 54.52 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.584 -1.636 . . . . 25.0 106.584 171.537 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.3 mt -129.57 117.51 20.55 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 -176.002 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -132.94 -55.8 0.93 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -174.338 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.61 -145.57 5.69 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 111.599 -0.601 . . . . 25.0 111.599 178.011 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -21.05 7.16 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.282 1.215 . . . . 25.0 114.282 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -55.85 -35.35 66.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 173.845 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.92 -42.6 89.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.176 0.512 . . . . 25.0 109.804 -178.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.47 -41.74 83.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.429 179.316 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.0 -34.24 77.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.842 0.354 . . . . 25.0 110.99 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.44 -33.45 62.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.662 -0.245 . . . . 25.0 110.689 179.561 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.73 -32.72 74.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 119.638 -0.22 . . . . 25.0 111.518 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -58.89 -38.22 78.36 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.843 -0.343 . . . . 25.0 110.55 175.642 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -71.84 -42.63 66.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 -179.411 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.27 -42.48 50.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.151 -0.477 . . . . 25.0 110.256 -174.358 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -78.44 -25.42 45.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.541 -0.3 . . . . 25.0 111.548 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.64 -141.96 46.04 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.091 -1.052 . . . . 25.0 110.953 -177.338 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -69.88 -9.34 54.52 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.145 1.535 . . . . 25.0 115.145 -178.335 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -73.2 -18.43 61.25 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.44 1.018 . . . . 25.0 111.438 -177.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.11 174.87 43.78 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.267 -0.492 . . . . 25.0 112.933 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -167.6 176.17 6.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.323 -2.103 . . . . 25.0 105.323 -179.723 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -137.81 163.14 32.14 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 172.224 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -140.83 140.92 34.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 177.599 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.8 p -112.32 110.78 53.07 Favored Pre-proline 0 C--O 1.244 0.772 0 CA-C-N 116.687 -0.233 . . . . 25.0 111.316 -177.361 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -69.06 158.21 58.76 Favored 'Trans proline' 0 C--N 1.351 0.708 0 N-CA-C 110.317 -0.686 . . . . 25.0 110.317 176.871 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -131.82 84.8 2.19 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 122.138 0.97 . . . . 25.0 111.878 -173.16 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.214 -0.813 0 CA-C-O 124.867 2.27 . . . . 25.0 111.153 179.469 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.471 -0.652 . . . . 25.0 111.471 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -68.78 -30.88 48.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 114.063 1.134 . . . . 25.0 114.063 -173.646 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.35 -49.7 77.17 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 O-C-N 121.157 -0.965 . . . . 25.0 111.596 -176.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -70.71 -28.68 64.92 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.054 -0.658 . . . . 25.0 109.728 -179.095 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -61.83 -44.21 97.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.625 -0.261 . . . . 25.0 110.342 177.545 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.3 m -83.24 -17.69 41.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.934 0.397 . . . . 25.0 112.036 179.591 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.7 t -73.93 -44.33 55.39 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.692 -0.484 . . . . 25.0 109.692 176.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -88.13 -26.57 22.4 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.142 0.793 . . . . 25.0 113.142 -178.014 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 m -126.0 172.07 10.26 Favored 'General case' 0 C--O 1.204 -1.32 0 O-C-N 122.057 -0.402 . . . . 25.0 110.874 -178.611 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.84 -43.39 86.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 N-CA-C 115.035 1.494 . . . . 25.0 115.035 -164.189 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 m 55.17 89.83 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.007 0.908 . . . . 25.0 112.82 -173.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.2 p -65.12 168.18 7.04 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 175.441 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.64 -28.09 30.92 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -177.452 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -67.5 -36.24 80.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.236 0.541 . . . . 25.0 111.596 179.154 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -73.9 -38.93 64.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 177.076 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.22 -32.15 73.48 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.781 -0.645 . . . . 25.0 112.408 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.76 -25.76 20.41 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.225 0.824 . . . . 25.0 113.225 177.204 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -63.72 -26.94 68.88 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.703 0.631 . . . . 25.0 112.703 178.652 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -78.76 -12.42 60.02 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.38 148.05 50.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.586 0.707 . . . . 25.0 112.04 -170.046 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.207 -1.138 0 CA-C-O 124.365 2.031 . . . . 25.0 113.335 -177.837 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 119.078 -0.487 . . . . 25.0 109.769 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 82.0 t -123.22 122.75 66.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.543 -1.651 . . . . 25.0 106.543 179.106 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.24 126.28 29.05 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.081 0.467 . . . . 25.0 111.111 -177.198 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -159.88 148.17 17.17 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.628 -2.36 . . . . 25.0 104.628 176.186 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -66.8 143.19 57.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.132 -1.062 . . . . 25.0 108.132 171.612 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.05 105.27 12.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.423 0.63 . . . . 25.0 111.016 -175.515 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -139.95 152.92 46.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.5 -142.51 48.0 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.601 -0.809 . . . . 25.0 111.545 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -27.85 66.69 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 179.447 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -61.93 -35.04 77.25 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.958 -0.464 . . . . 25.0 111.142 179.436 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.1 tp -65.44 -44.45 87.27 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 178.139 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.08 -42.84 98.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.132 0.491 . . . . 25.0 110.494 -179.358 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.18 -36.33 83.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.04 0.448 . . . . 25.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.82 68.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.919 0.39 . . . . 25.0 110.266 -178.797 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.04 -29.46 69.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -177.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.86 -37.4 81.98 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.622 -0.431 . . . . 25.0 110.146 174.553 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.82 -43.02 66.29 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 179.635 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.3 t -71.78 -43.9 69.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 25.0 110.603 -174.485 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -80.25 -24.71 39.95 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.596 -0.441 . . . . 25.0 111.773 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.54 -137.21 50.04 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 109.649 -1.381 . . . . 25.0 109.649 -176.271 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.47 -8.81 53.9 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.494 1.294 . . . . 25.0 114.494 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -70.02 -26.75 64.2 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.778 -0.576 . . . . 25.0 112.479 -178.578 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.93 170.74 36.23 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.776 -0.726 . . . . 25.0 112.828 -177.662 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -160.7 176.71 11.22 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.414 -2.069 . . . . 25.0 105.414 -177.807 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -137.16 163.15 31.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.823 -1.547 . . . . 25.0 106.823 175.867 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -144.08 140.84 29.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 178.746 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.0 p -116.68 120.88 33.75 Favored Pre-proline 0 C--O 1.242 0.705 0 N-CA-C 107.878 -1.156 . . . . 25.0 107.878 177.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -73.32 166.98 28.49 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 117.868 -0.954 . . . . 25.0 112.336 -177.66 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -132.73 99.6 4.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.204 -1.036 . . . . 25.0 108.204 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.206 -1.196 0 CA-C-O 123.634 1.683 . . . . 25.0 113.709 -178.636 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.858 0 CA-C-O 119.247 -0.751 . . . . 25.0 111.783 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -64.9 -41.05 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-N 118.505 1.153 . . . . 25.0 113.105 -176.267 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.56 -32.36 56.65 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 O-C-N 121.7 -0.625 . . . . 25.0 110.088 179.701 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -63.89 -45.72 88.1 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 178.069 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -65.37 -39.24 92.05 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.639 -0.255 . . . . 25.0 111.214 179.188 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 m -69.93 -34.32 73.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -178.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.9 m -74.76 -47.77 29.25 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 178.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -88.06 -19.41 27.13 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -174.337 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -139.36 -174.44 3.87 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 -177.208 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm -74.92 116.83 18.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 121.452 -0.78 . . . . 25.0 111.461 -167.594 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -87.23 82.15 7.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 175.202 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.9 p -69.97 169.36 13.45 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.766 -0.827 . . . . 25.0 108.766 -178.457 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.46 -28.59 63.49 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 120.588 0.232 . . . . 25.0 111.561 179.303 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -69.82 -38.27 76.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.213 0.53 . . . . 25.0 111.114 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.4 -41.18 76.75 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 177.367 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.84 -36.58 83.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 25.0 111.983 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -57.69 -28.96 64.27 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 178.615 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -70.72 -26.94 63.62 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.546 0.572 . . . . 25.0 112.546 179.88 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.03 -17.01 48.28 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.789 0.804 . . . . 25.0 109.67 177.703 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.1 158.68 20.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 122.474 1.131 . . . . 25.0 113.994 -166.193 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.2 t30 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 124.846 2.26 . . . . 25.0 110.695 174.146 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.3 t80 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 119.112 -0.47 . . . . 25.0 109.828 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.7 t -119.23 129.12 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 107.361 -1.348 . . . . 25.0 107.361 179.747 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -73.13 132.88 43.81 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.376 0.132 . . . . 25.0 110.74 -179.317 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -160.42 149.21 16.94 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.704 0.764 . . . . 25.0 108.982 178.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -73.91 125.26 27.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.664 -1.153 . . . . 25.0 108.247 172.049 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.9 118.56 28.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -176.002 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -138.48 159.14 42.84 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 177.605 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.92 -138.38 49.61 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.872 -0.68 . . . . 25.0 112.74 178.006 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.3 p -60.97 -28.7 69.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.004 0.742 . . . . 25.0 113.004 -179.465 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -63.14 -35.84 81.61 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.627 -0.671 . . . . 25.0 110.703 178.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.29 -42.23 88.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -64.2 -44.86 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.894 179.228 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -65.52 -30.85 71.66 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.78 -0.575 . . . . 25.0 111.997 -178.88 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -35.47 74.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.87 0.367 . . . . 25.0 110.592 179.144 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.9 -29.1 69.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 -177.404 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -59.41 -39.72 84.37 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 176.179 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.3 mt -71.35 -41.52 69.66 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -177.751 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.59 -36.89 42.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.186 -174.372 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -82.48 -28.25 31.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.014 -0.675 . . . . 25.0 112.493 178.785 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.92 -135.43 51.99 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 109.772 -1.331 . . . . 25.0 109.772 -175.463 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -68.23 -10.13 52.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 114.552 1.316 . . . . 25.0 114.552 -179.011 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -68.33 -24.68 64.85 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.034 0.753 . . . . 25.0 113.034 -178.455 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.26 170.58 23.63 Favored Glycine 0 C--O 1.221 -0.682 0 N-CA-C 109.697 -1.361 . . . . 25.0 109.697 -174.284 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -157.51 174.98 14.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -134.19 165.04 26.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 178.164 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -151.2 150.47 30.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 177.033 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.0 p -117.25 85.09 18.57 Favored Pre-proline 0 C--O 1.245 0.866 0 CA-C-O 120.97 0.414 . . . . 25.0 111.28 -179.402 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.28 165.65 29.02 Favored 'Trans proline' 0 C--N 1.346 0.402 0 N-CA-C 110.951 -0.442 . . . . 25.0 110.951 178.219 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -142.89 147.21 34.94 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 106.356 -1.72 . . . . 25.0 106.356 179.141 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.21 -0.978 0 CA-C-O 125.134 2.397 . . . . 25.0 112.215 -177.741 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.424 0 CA-C-O 118.187 -1.341 . . . . 25.0 111.387 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 tt -60.04 -37.01 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 120.098 1.949 . . . . 25.0 112.925 -172.358 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.77 -41.17 87.51 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 CA-C-O 121.526 0.679 . . . . 25.0 109.892 178.015 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.46 -41.28 96.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 25.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -63.84 -41.92 97.72 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.299 -179.461 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.6 m -75.26 -16.75 60.43 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 -179.063 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -82.52 -44.56 15.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.387 -0.37 . . . . 25.0 110.446 176.681 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 t -83.66 -26.85 29.53 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -176.442 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.442 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 87.8 p -134.01 -179.45 5.56 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.76 115.14 38.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 -177.648 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.5 m -78.1 117.07 19.04 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 174.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -66.37 163.14 18.85 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 175.116 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.26 -33.29 52.44 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -178.377 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -63.51 -38.04 89.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.382 0.611 . . . . 25.0 112.269 179.44 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -73.6 -38.13 65.22 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 178.044 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.2 -33.96 76.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.406 179.478 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.67 -23.33 27.74 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 177.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -63.48 -26.78 68.88 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 178.346 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -73.95 -10.74 59.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.064 0.459 . . . . 25.0 111.108 179.14 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.1 m -97.42 132.97 42.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.159 0.98 . . . . 25.0 110.409 -175.32 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.214 -0.778 0 CA-C-O 124.942 2.306 . . . . 25.0 112.317 179.707 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.1 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 119.092 -0.48 . . . . 25.0 109.733 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.93 122.23 53.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.8 107.67 12.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 121.407 0.622 . . . . 25.0 111.071 -178.172 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -147.07 143.85 28.65 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 104.298 -2.482 . . . . 25.0 104.298 174.187 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 65.5 m-70 -65.6 145.0 56.6 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 175.4 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.94 112.43 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -172.148 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 73.3 m -130.14 153.33 48.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 173.905 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.42 -136.73 46.34 Favored Glycine 0 C--O 1.228 -0.256 0 C-N-CA 120.941 -0.647 . . . . 25.0 113.444 175.542 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -27.11 65.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 179.877 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -64.82 -35.27 80.56 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.972 -0.455 . . . . 25.0 110.186 177.656 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 tp -69.64 -42.84 73.73 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.71 -43.07 96.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.593 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.87 -33.87 77.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.96 -0.462 . . . . 25.0 111.165 178.858 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.33 85.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.086 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 99.0 mt -65.69 -34.71 78.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.018 0.377 . . . . 25.0 112.018 -179.472 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -60.32 -38.09 82.65 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 110.398 -0.223 . . . . 25.0 110.398 175.892 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.96 -44.28 63.81 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 178.533 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -68.58 -44.93 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.261 -0.427 . . . . 25.0 111.885 -173.046 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.9 m -100.77 -6.1 25.42 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 -177.067 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.07 -148.95 45.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 119.843 -1.17 . . . . 25.0 113.069 176.007 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.86 -6.18 36.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 115.384 1.624 . . . . 25.0 115.384 -177.069 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -72.03 -15.33 62.03 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.318 0.963 . . . . 25.0 111.286 -178.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.98 176.48 50.03 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-O 121.605 0.558 . . . . 25.0 113.006 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -165.87 179.98 5.59 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 103.727 -2.694 . . . . 25.0 103.727 -178.3 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -134.99 164.52 27.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 177.561 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -148.11 142.37 26.19 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 179.039 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -109.94 97.38 29.08 Favored Pre-proline 0 C--O 1.24 0.56 0 CA-C-O 120.76 0.314 . . . . 25.0 110.914 -178.721 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.89 154.66 48.36 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 117.29 -1.34 . . . . 25.0 112.097 179.1 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -84.9 85.12 7.5 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 122.174 0.987 . . . . 25.0 109.641 178.887 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.208 -1.119 0 CA-C-O 123.545 1.64 . . . . 25.0 113.334 -177.983 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.775 0 CA-C-O 118.613 -1.104 . . . . 25.0 111.297 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.3 tt -63.03 -33.55 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 119.193 1.497 . . . . 25.0 112.544 -173.644 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.28 -43.57 95.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 177.66 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -64.83 -37.84 88.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.333 -0.394 . . . . 25.0 110.663 179.858 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -61.75 -45.21 94.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.746 0.248 . . . . 25.0 110.894 178.128 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.2 m -73.15 -26.2 61.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.861 0.362 . . . . 25.0 111.654 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -75.22 -47.86 26.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.409 -0.36 . . . . 25.0 111.133 -179.196 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -87.19 -19.49 28.33 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.504 0.927 . . . . 25.0 113.504 -173.814 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.44 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 64.1 m -144.31 178.25 8.05 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -179.886 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.78 108.22 20.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.289 -1.004 . . . . 25.0 108.289 -176.86 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -83.83 143.85 29.66 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 174.933 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.2 p -79.77 170.3 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.172 -0.33 . . . . 25.0 110.163 -176.537 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.7 -28.09 68.38 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 120.612 0.244 . . . . 25.0 111.634 178.665 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.46 -39.07 74.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.257 0.551 . . . . 25.0 109.719 179.294 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -68.25 -37.49 80.81 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 177.404 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.36 -36.66 80.83 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.825 176.214 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -63.85 -14.19 51.09 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 178.765 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -64.37 -26.8 68.63 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.679 -0.638 . . . . 25.0 111.336 173.276 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -72.37 -11.81 60.85 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.356 -0.215 . . . . 25.0 111.47 178.734 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.0 m -67.37 143.09 56.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.334 -0.988 . . . . 25.0 108.334 179.605 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 t30 . . . . . 0 C--O 1.209 -1.034 0 CA-C-O 124.39 2.043 . . . . 25.0 113.413 -178.205 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.4 t80 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -84.53 142.12 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 -178.756 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -79.57 135.7 36.67 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.002 -0.679 . . . . 25.0 110.172 178.557 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -160.14 148.31 16.82 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 104.243 -2.503 . . . . 25.0 104.243 169.671 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.6 m-70 -71.56 140.75 49.97 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.659 -1.237 . . . . 25.0 107.659 171.391 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.28 105.44 12.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -177.237 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 t -139.97 152.32 46.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.374 -0.972 . . . . 25.0 108.374 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.24 -140.19 48.09 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.64 -0.79 . . . . 25.0 111.157 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -59.55 -29.48 67.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -35.02 76.76 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.999 -0.438 . . . . 25.0 111.065 179.762 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.07 -45.38 81.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 178.852 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.15 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.008 0.432 . . . . 25.0 110.827 -179.405 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.28 -36.3 83.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.951 0.405 . . . . 25.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.36 70.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.976 0.417 . . . . 25.0 109.882 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.44 -32.61 74.1 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.969 0.729 . . . . 25.0 112.969 -177.225 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -58.42 -42.86 88.2 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.731 -0.388 . . . . 25.0 110.311 175.718 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.87 -45.56 60.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 179.538 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -69.85 -39.46 77.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-O 121.49 0.662 . . . . 25.0 111.575 -173.239 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -88.67 -23.84 22.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.057 -0.52 . . . . 25.0 111.526 -179.456 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.85 -150.92 51.94 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.007 -1.092 . . . . 25.0 111.316 -177.129 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.35 -6.4 24.1 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.672 1.36 . . . . 25.0 114.672 -178.566 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -66.39 -23.61 66.35 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -177.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.59 152.62 13.61 Favored Glycine 0 C--O 1.228 -0.267 0 CA-C-O 121.831 0.684 . . . . 25.0 112.824 179.131 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -151.25 174.38 13.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 -174.106 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -126.81 164.3 21.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 178.771 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -144.18 140.92 29.62 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.526 -1.657 . . . . 25.0 106.526 177.752 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -110.13 94.19 17.43 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.957 0.408 . . . . 25.0 110.509 -179.066 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.48 172.23 16.71 Favored 'Trans proline' 0 C--N 1.348 0.515 0 CA-C-O 121.065 0.361 . . . . 25.0 112.077 178.834 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 117.54 28.24 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.844 -0.799 . . . . 25.0 108.844 175.374 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 C--O 1.212 -0.875 0 CA-C-O 122.039 0.923 . . . . 25.0 110.329 178.02 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.38 -0.688 . . . . 25.0 111.38 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.3 tt -63.22 -34.25 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.602 0.964 . . . . 25.0 113.602 -173.441 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.5 p -72.1 -27.13 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.268 -0.895 . . . . 25.0 111.232 -179.055 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -71.74 -28.73 63.86 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.515 -0.74 . . . . 25.0 110.539 -179.407 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -56.46 -36.33 68.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.968 0.413 . . . . 25.0 111.065 -178.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.1 m -100.8 -11.96 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.272 0.841 . . . . 25.0 113.272 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t -95.65 -45.36 7.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -176.433 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 t -75.49 -18.96 59.68 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.171 0.51 . . . . 25.0 111.368 -175.235 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.6 t -150.08 -168.98 3.26 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.5 -1.667 . . . . 25.0 106.5 177.434 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' B' ' 3' ' ' ASN . 33.3 mt -106.87 101.02 11.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.196 0.522 . . . . 25.0 109.691 -172.215 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 p -77.14 150.41 35.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 177.684 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.4 p -87.33 169.71 12.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.566 -0.288 . . . . 25.0 110.362 -177.853 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.35 -27.97 67.8 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.952 0.406 . . . . 25.0 111.289 177.085 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -68.5 -36.37 78.81 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 121.471 0.653 . . . . 25.0 110.354 179.08 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -71.03 -38.18 72.58 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 177.201 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.52 -33.24 73.49 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 112.477 0.547 . . . . 25.0 112.477 178.48 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -55.68 -27.79 52.07 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.234 0.827 . . . . 25.0 113.234 177.84 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.01 -26.99 67.79 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.813 0.671 . . . . 25.0 112.813 178.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -80.06 -8.28 59.3 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.743 0.417 . . . . 25.0 111.281 -175.681 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.7 m -73.57 150.45 41.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.909 0.861 . . . . 25.0 111.455 -174.71 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.207 -1.155 0 CA-C-O 123.176 1.465 . . . . 25.0 112.487 -179.381 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.9 t80 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.79 139.44 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 -178.782 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.457 ' HB2' HD13 ' A' ' 10' ' ' ILE . 8.6 p30 -80.92 137.86 36.13 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.407 0.622 . . . . 25.0 110.037 179.137 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -159.94 146.59 16.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.477 -2.046 . . . . 25.0 105.477 173.375 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.503 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 83.6 m-70 -69.06 140.5 54.89 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 105.97 -1.863 . . . . 25.0 105.97 167.589 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 85.5 mt -120.3 105.31 10.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.287 0.565 . . . . 25.0 111.254 -174.668 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 18.1 m -126.25 145.16 50.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.17 -132.47 50.91 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.572 -0.823 . . . . 25.0 113.294 176.485 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -27.27 65.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -62.98 -40.69 98.5 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.589 -0.694 . . . . 25.0 109.651 177.294 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.28 -42.78 87.93 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.62 -45.51 94.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.032 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -66.62 -33.63 76.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.883 -0.511 . . . . 25.0 111.67 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.41 73.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 179.507 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 mt -66.49 -31.05 71.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -177.697 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -57.28 -41.63 80.1 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.751 -0.38 . . . . 25.0 109.998 175.778 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -72.06 -44.8 62.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.96 -40.55 68.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.45 . . . . 25.0 110.767 -173.529 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -84.74 -22.93 29.5 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.591 -0.444 . . . . 25.0 111.949 -178.714 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.19 -140.16 48.17 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.022 -1.085 . . . . 25.0 111.771 -177.78 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -67.86 -10.05 49.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -177.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.24 -17.93 62.47 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.076 -0.39 . . . . 25.0 111.856 -179.409 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.0 177.56 29.27 Favored Glycine 0 N--CA 1.452 -0.284 0 N-CA-C 110.794 -0.923 . . . . 25.0 110.794 -177.161 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -161.46 177.8 9.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 -177.076 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -129.8 162.85 27.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -142.13 139.65 32.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 179.424 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.4 p -111.5 95.55 27.55 Favored Pre-proline 0 C--O 1.24 0.572 0 CA-C-O 120.816 0.341 . . . . 25.0 111.007 -177.2 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.19 153.88 46.33 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 117.415 -1.257 . . . . 25.0 111.998 179.317 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 85.78 7.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.783 0.802 . . . . 25.0 109.49 178.423 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 122.676 1.227 . . . . 25.0 111.016 179.339 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.473 0 CA-C-O 119.218 -0.768 . . . . 25.0 111.597 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.6 tt -61.4 -30.89 48.97 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 CA-C-N 118.323 1.061 . . . . 25.0 113.831 -173.761 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.38 -35.22 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 121.179 -0.95 . . . . 25.0 111.056 -179.77 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -68.65 -31.25 70.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.409 -0.36 . . . . 25.0 111.424 -177.182 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -56.53 -38.79 72.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.462 . . . . 25.0 110.526 -179.149 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -97.19 -21.83 17.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.825 0.676 . . . . 25.0 112.825 -178.867 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -87.56 -47.1 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -176.236 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -84.99 -17.75 36.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.376 -0.53 . . . . 25.0 110.921 -176.673 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.437 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 27.6 p -146.0 176.99 9.29 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 -178.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mm -89.21 131.19 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 -175.89 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -114.44 151.74 32.7 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.138 -1.801 . . . . 25.0 106.138 173.886 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -85.81 169.08 13.69 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -177.836 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.44 -28.12 69.58 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 120.738 0.304 . . . . 25.0 110.974 178.336 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -68.51 -37.21 79.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.466 0.65 . . . . 25.0 110.193 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -69.18 -33.61 73.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.284 176.645 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.53 -34.2 77.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.273 -0.422 . . . . 25.0 111.554 176.823 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -56.76 -30.37 63.53 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.86 -0.525 . . . . 25.0 112.1 178.204 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.32 -26.96 68.15 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -179.641 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -68.02 -23.78 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.145 -0.347 . . . . 25.0 110.576 -178.49 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m -84.89 52.97 2.56 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.561 0.696 . . . . 25.0 110.339 179.414 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.215 -0.756 0 CA-C-O 124.718 2.199 . . . . 25.0 111.956 -178.512 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.9 t -109.14 130.83 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 107.874 -1.158 . . . . 25.0 107.874 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -72.8 129.22 37.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.621 0.724 . . . . 25.0 110.432 178.47 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -160.3 145.82 15.05 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 104.197 -2.52 . . . . 25.0 104.197 174.447 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 75.9 m-70 -64.57 141.68 58.69 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 172.847 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.11 108.21 14.42 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 123.208 0.603 . . . . 25.0 111.388 -176.262 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 m -127.83 149.37 50.31 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.323 -0.991 . . . . 25.0 108.323 177.813 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.04 -136.08 48.62 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.725 -0.75 . . . . 25.0 113.158 177.768 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -26.46 65.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.822 1.045 . . . . 25.0 113.822 179.7 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -32.61 73.73 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.504 -0.747 . . . . 25.0 110.327 178.144 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.41 -40.71 73.7 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 120.844 0.354 . . . . 25.0 110.205 178.109 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.07 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.108 0.48 . . . . 25.0 110.303 178.71 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -69.51 -27.27 65.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.768 -0.582 . . . . 25.0 112.273 -178.873 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.76 -42.05 74.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 175.878 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.27 -33.44 75.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.266 -0.425 . . . . 25.0 111.913 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -55.12 -43.98 74.57 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 120.897 0.38 . . . . 25.0 110.151 175.13 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -71.92 -42.83 66.23 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -179.041 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -71.63 -43.91 70.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 25.0 111.653 -173.435 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.68 -15.99 33.46 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.739 -0.784 . . . . 25.0 111.233 179.791 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.24 -150.3 50.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.532 -0.842 . . . . 25.0 113.376 174.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -67.82 -6.39 21.15 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -178.4 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -70.18 -20.8 63.1 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.017 -0.427 . . . . 25.0 110.441 178.176 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.59 171.85 48.5 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.32 -0.712 . . . . 25.0 111.32 -178.363 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -166.37 177.74 6.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.977 -2.231 . . . . 25.0 104.977 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -137.51 164.03 29.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 171.464 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -143.59 142.63 31.15 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 177.391 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.6 p -108.81 97.99 27.03 Favored Pre-proline 0 C--O 1.243 0.727 0 CA-C-O 121.038 0.447 . . . . 25.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -69.42 167.01 25.22 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 117.991 -0.873 . . . . 25.0 111.123 177.888 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 98.03 5.81 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -178.739 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.205 -1.248 0 CA-C-O 123.616 1.674 . . . . 25.0 113.392 -177.918 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.98 0 CA-C-O 119.01 -0.883 . . . . 25.0 111.13 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -59.27 -34.92 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-N 118.543 1.171 . . . . 25.0 112.871 -174.753 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 p -60.3 -28.36 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -179.741 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -66.48 -34.2 77.4 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 121.396 -0.815 . . . . 25.0 111.49 -176.365 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -58.84 -32.0 69.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.378 0.423 . . . . 25.0 111.88 -176.12 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.6 m -99.94 -26.24 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 178.013 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.7 t -75.0 -48.37 24.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -177.055 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -88.09 -18.95 27.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 -175.063 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.401 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 21.8 p -144.29 174.12 11.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.25 -0.281 . . . . 25.0 111.038 -175.842 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.1 mm -80.8 135.73 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.471 -1.678 . . . . 25.0 106.471 -174.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 p -129.98 156.53 44.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 175.534 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -110.72 173.8 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.953 -0.388 . . . . 25.0 109.953 -175.515 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.38 -28.65 67.08 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 179.382 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -68.95 -36.73 78.28 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 121.478 0.656 . . . . 25.0 110.085 179.441 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -74.76 -33.8 62.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.291 177.164 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.48 -32.06 73.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.53 . . . . 25.0 111.365 177.28 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.61 -24.34 55.88 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 177.055 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -68.13 -26.98 66.06 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 178.664 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.48 -26.0 59.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 179.454 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.68 128.71 36.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -179.315 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.209 -1.028 0 CA-C-O 122.757 1.265 . . . . 25.0 112.566 -175.85 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.995 -0.526 . . . . 25.0 109.641 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.7 p -138.16 137.78 43.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 106.181 -1.785 . . . . 25.0 106.181 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -75.83 127.41 32.95 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.24 0.543 . . . . 25.0 110.717 -178.001 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -160.27 153.06 21.27 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 173.264 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 65.7 m-70 -66.89 139.83 57.75 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 105.59 -2.004 . . . . 25.0 105.59 169.765 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -120.33 110.97 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.403 -0.962 . . . . 25.0 108.403 -176.553 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -146.6 161.94 39.47 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 -178.067 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.31 -142.84 48.28 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 110.016 -1.234 . . . . 25.0 110.016 -177.943 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.28 -31.73 69.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -60.9 -34.25 74.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.903 -0.498 . . . . 25.0 111.736 -179.049 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -69.35 -48.53 61.05 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.32 -0.552 . . . . 25.0 110.834 -179.384 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.1 -32.82 57.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 120.22 -0.592 . . . . 25.0 110.262 -177.932 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.2 -40.32 94.04 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.986 -0.446 . . . . 25.0 110.479 177.292 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.34 84.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.733 0.301 . . . . 25.0 110.231 179.443 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -65.39 -31.29 72.31 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 -178.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -61.04 -37.98 84.5 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.381 -0.527 . . . . 25.0 110.185 176.03 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.88 -43.15 65.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.1 t -74.6 -42.17 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.002 0.429 . . . . 25.0 111.051 -174.04 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 90.5 m -75.15 -28.42 60.12 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.523 -0.471 . . . . 25.0 109.929 177.868 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.94 -143.54 48.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.336 -0.935 . . . . 25.0 111.419 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.81 -6.41 26.66 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.169 1.174 . . . . 25.0 114.169 -179.077 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -68.72 -27.77 66.24 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.119 0.418 . . . . 25.0 110.991 178.943 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.52 171.74 36.85 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.631 -0.988 . . . . 25.0 110.631 -176.062 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -169.8 176.08 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 -178.344 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -132.22 159.82 37.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.177 -2.157 . . . . 25.0 105.177 170.298 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -137.67 139.96 40.54 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -178.074 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.02 99.79 52.93 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-O 121.796 0.808 . . . . 25.0 110.502 -177.416 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.83 159.53 24.53 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 121.145 1.23 . . . . 25.0 110.594 177.666 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -86.48 85.04 7.3 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 176.616 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.212 -0.884 0 CA-C-O 125.077 2.37 . . . . 25.0 111.307 179.511 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.902 0 CA-C-O 118.839 -0.978 . . . . 25.0 111.685 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 tt -64.56 -38.27 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 118.804 1.302 . . . . 25.0 113.284 -174.471 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.07 -38.68 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.446 0.641 . . . . 25.0 109.548 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -63.54 -43.44 97.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 25.0 110.379 178.632 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -60.61 -43.04 97.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.851 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.3 m -73.94 -26.76 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.465 179.62 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.08 -49.3 29.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 25.0 111.044 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -87.08 -25.27 24.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -174.17 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -132.43 -178.21 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.75 -0.593 . . . . 25.0 110.538 -178.346 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mm -73.41 120.64 22.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.756 0.789 . . . . 25.0 109.535 -170.232 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.13 85.29 6.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.197 -0.911 . . . . 25.0 109.02 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 m -63.54 159.34 18.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.124 179.608 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.0 -27.99 62.06 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -179.766 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -67.57 -36.55 81.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.279 0.562 . . . . 25.0 111.12 178.887 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -68.63 -40.22 80.4 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 177.674 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.32 -36.96 85.44 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.506 -0.77 . . . . 25.0 112.436 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -58.33 -25.05 61.48 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -179.956 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -66.8 -26.89 67.16 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.992 -0.443 . . . . 25.0 112.155 178.858 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -79.44 -8.16 58.92 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.511 0.325 . . . . 25.0 111.605 -178.956 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.55 147.66 45.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 122.339 1.066 . . . . 25.0 111.52 -173.892 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.3 t30 . . . . . 0 C--O 1.214 -0.775 0 CA-C-O 124.832 2.253 . . . . 25.0 111.206 178.043 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.2 t80 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 119.033 -0.508 . . . . 25.0 109.756 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -109.58 122.57 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -179.846 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -75.34 128.3 35.09 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.036 0.446 . . . . 25.0 111.313 -177.705 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -160.19 153.36 21.84 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 104.876 -2.268 . . . . 25.0 104.876 173.368 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -68.43 142.76 55.29 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.574 -1.639 . . . . 25.0 106.574 170.511 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.2 110.77 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -176.649 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -133.44 -39.89 0.9 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.608 1.336 . . . . 25.0 114.608 -175.794 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.65 -143.39 9.22 Favored Glycine 0 N--CA 1.457 0.044 0 N-CA-C 110.783 -0.927 . . . . 25.0 110.783 178.589 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -54.95 -26.66 37.89 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.89 0.476 . . . . 25.0 112.188 177.264 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -52.83 -37.43 60.06 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.897 0.702 . . . . 25.0 112.897 176.941 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.9 tp -67.12 -43.8 81.51 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.918 0.389 . . . . 25.0 110.181 -177.066 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.43 -40.95 83.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.189 0.518 . . . . 25.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.68 -34.23 77.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 25.0 110.992 -179.324 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.01 -32.43 65.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.981 0.419 . . . . 25.0 110.499 -179.43 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.39 -30.27 70.61 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.357 0.503 . . . . 25.0 112.357 -178.369 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -60.72 -37.73 82.7 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.678 -0.409 . . . . 25.0 109.98 175.677 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.4 mt -71.84 -47.14 55.17 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -76.15 -41.32 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.998 -0.547 . . . . 25.0 111.197 -171.471 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -86.06 -10.9 54.14 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.074 -0.251 . . . . 25.0 111.561 -179.444 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.1 -137.53 23.38 Favored Glycine 0 CA--C 1.519 0.321 0 CA-C-O 122.395 0.997 . . . . 25.0 114.54 176.436 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -72.93 -6.27 44.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.589 1.329 . . . . 25.0 114.589 -178.369 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.6 -18.79 50.84 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.801 -0.562 . . . . 25.0 110.509 -177.326 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.64 172.74 48.58 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.899 -0.88 . . . . 25.0 110.899 -178.687 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -156.76 174.02 16.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -177.208 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -131.08 160.94 33.18 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.435 -1.691 . . . . 25.0 106.435 176.385 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -148.54 141.1 24.39 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 179.342 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 48.2 p -101.05 103.3 24.47 Favored Pre-proline 0 C--O 1.244 0.785 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 179.112 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.78 166.62 28.91 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.978 -0.882 . . . . 25.0 112.673 -178.199 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -84.7 94.84 8.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.269 -1.382 . . . . 25.0 107.269 177.467 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.204 -1.294 0 CA-C-O 123.989 1.852 . . . . 25.0 113.105 -178.398 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.048 -0.821 . . . . 25.0 111.048 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -56.82 -35.71 47.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 113.962 1.097 . . . . 25.0 113.962 -171.096 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.02 -35.82 73.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.667 -0.646 . . . . 25.0 110.779 178.824 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -70.73 -43.2 69.4 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.405 -0.809 . . . . 25.0 108.998 176.366 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -58.4 -38.35 77.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.35 -0.386 . . . . 25.0 111.287 -179.414 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.0 m -80.66 -33.52 35.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 177.697 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.7 t -73.81 -54.39 8.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.864 0.32 . . . . 25.0 111.864 -176.156 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -88.02 -18.72 28.36 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -174.154 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -137.93 -176.53 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -177.859 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.7 mm -72.34 122.78 25.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.756 0.789 . . . . 25.0 112.225 -166.22 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 t -92.8 96.77 10.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.68 -1.23 . . . . 25.0 107.68 176.625 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.5 p -75.68 167.06 22.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.46 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -60.92 -27.86 68.51 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 122.111 -0.368 . . . . 25.0 111.011 178.775 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -68.98 -37.7 78.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.494 0.664 . . . . 25.0 110.926 178.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -67.52 -38.83 84.83 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 176.593 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.51 -36.96 85.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.203 -0.31 . . . . 25.0 111.589 177.86 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.78 -26.22 67.96 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 176.899 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.98 -26.78 63.3 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.091 0.404 . . . . 25.0 112.091 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -79.97 -12.37 59.72 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.143 0.497 . . . . 25.0 110.738 177.776 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.38 147.82 49.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.441 0.639 . . . . 25.0 110.641 -171.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.5 t30 . . . . . 0 C--O 1.206 -1.195 0 CA-C-O 124.313 2.006 . . . . 25.0 113.017 -178.849 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 119.015 -0.517 . . . . 25.0 109.794 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.0 p -133.36 143.58 38.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 -179.441 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.04 140.39 52.82 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.273 0.558 . . . . 25.0 111.342 -177.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -160.19 150.78 18.66 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 106.371 -1.715 . . . . 25.0 106.371 172.681 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -70.12 142.25 52.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.46 -2.052 . . . . 25.0 105.46 166.911 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -136.38 118.76 15.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.205 0.526 . . . . 25.0 111.306 -176.594 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.39 158.98 43.2 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 -178.727 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.59 -144.7 47.76 Favored Glycine 0 C--O 1.229 -0.187 0 C-N-CA 120.831 -0.7 . . . . 25.0 112.532 179.25 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -27.62 66.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 179.5 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.68 -36.9 84.4 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.924 -0.485 . . . . 25.0 110.475 178.543 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.72 -44.03 82.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 179.248 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.36 -42.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.272 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.99 -32.66 74.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.821 -0.55 . . . . 25.0 111.578 179.718 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.82 68.34 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -65.56 -32.08 73.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.942 0.349 . . . . 25.0 111.942 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -62.1 -35.18 77.94 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.531 176.248 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.82 -42.95 66.38 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 179.25 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -75.3 -40.86 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.244 0.545 . . . . 25.0 111.069 -173.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.7 m -83.27 -22.18 33.09 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.8 -0.36 . . . . 25.0 110.972 178.868 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.1 -150.5 50.38 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 109.81 -1.316 . . . . 25.0 109.81 -176.468 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.75 -6.46 15.95 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.442 1.275 . . . . 25.0 114.442 179.395 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -72.25 -22.03 61.29 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 122.122 -0.361 . . . . 25.0 111.637 -178.686 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.24 176.08 48.11 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-O 121.898 0.721 . . . . 25.0 114.363 178.332 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -161.13 179.78 8.12 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.873 -2.269 . . . . 25.0 104.873 -177.107 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -127.44 158.72 36.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 177.002 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -146.8 142.01 27.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.19 97.87 44.99 Favored Pre-proline 0 C--O 1.244 0.78 0 CA-C-O 121.778 0.799 . . . . 25.0 109.519 -177.938 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.65 156.53 24.59 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 121.154 1.236 . . . . 25.0 111.649 -179.213 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -96.06 100.25 11.93 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 178.21 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 C--O 1.211 -0.939 0 CA-C-O 125.218 2.437 . . . . 25.0 112.121 179.933 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.303 0 N-CA-C 111.256 -0.738 . . . . 25.0 111.256 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 tt -58.75 -37.33 65.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -171.24 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.23 -38.58 79.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 O-C-N 121.662 -0.649 . . . . 25.0 110.459 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -65.64 -43.94 87.91 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.416 -0.802 . . . . 25.0 108.848 177.644 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.79 -37.14 78.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.774 -178.338 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.5 m -83.03 -28.74 29.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 179.456 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.0 m -77.78 -48.19 17.18 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.554 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -87.96 -18.08 29.87 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -176.204 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.437 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.7 t -137.12 -169.34 2.47 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 107.253 -1.388 . . . . 25.0 107.253 178.942 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -110.45 118.5 57.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 119.004 0.82 . . . . 25.0 109.936 -175.619 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 m -82.02 131.83 35.25 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.979 -0.748 . . . . 25.0 108.979 175.282 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.5 p -75.39 168.25 20.36 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.41 -1.329 . . . . 25.0 107.41 175.322 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.11 -32.32 67.99 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 111.856 0.317 . . . . 25.0 111.856 -179.704 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -66.82 -38.74 87.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 121.355 0.598 . . . . 25.0 111.368 179.806 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -69.02 -39.37 79.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 177.459 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.47 -33.95 76.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.033 -0.53 . . . . 25.0 112.129 179.502 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.65 -22.01 31.48 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.598 0.962 . . . . 25.0 113.598 178.012 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -65.49 -27.02 68.18 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.734 -0.603 . . . . 25.0 112.417 177.641 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -76.96 -11.44 59.81 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.285 0.564 . . . . 25.0 110.371 177.934 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.75 101.67 14.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.196 0.522 . . . . 25.0 110.382 -173.632 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 126.526 3.06 . . . . 25.0 111.917 -178.052 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.17 132.51 58.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 105.562 -2.014 . . . . 25.0 105.562 178.569 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.08 127.0 31.79 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 120.063 -0.655 . . . . 25.0 110.912 -176.556 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -160.18 150.44 18.4 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 102.963 -2.976 . . . . 25.0 102.963 173.644 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.0 m-70 -68.33 138.99 55.87 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 177.517 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.07 105.33 11.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.304 0.573 . . . . 25.0 111.444 -172.846 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.3 153.41 43.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 178.194 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.76 -134.58 51.17 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.487 -0.863 . . . . 25.0 111.738 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.4 p -60.59 -30.22 69.69 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 179.526 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -65.35 -32.24 73.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.702 -0.624 . . . . 25.0 111.798 179.586 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -68.61 -42.05 78.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 177.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.67 -42.46 96.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.075 -0.511 . . . . 25.0 110.444 178.478 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.27 -35.24 79.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.113 0.482 . . . . 25.0 111.051 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.37 -39.38 65.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.938 0.399 . . . . 25.0 110.059 179.493 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.08 -30.79 71.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -178.902 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -57.84 -39.73 78.39 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.89 -0.324 . . . . 25.0 110.848 175.075 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.8 mt -71.98 -41.74 67.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.3 t -74.14 -41.91 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.127 0.489 . . . . 25.0 111.243 -174.05 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.4 m -82.32 -22.11 35.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.535 -0.302 . . . . 25.0 111.198 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.09 -141.36 47.27 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.133 -1.032 . . . . 25.0 110.994 -178.46 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.2 -11.99 61.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -177.324 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -74.58 -16.29 60.81 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.955 0.798 . . . . 25.0 113.137 -175.866 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.17 173.81 46.49 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 121.165 -0.54 . . . . 25.0 113.0 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -167.15 -179.37 4.55 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 -177.833 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -137.12 164.35 28.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 174.771 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -145.57 143.6 30.0 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 176.704 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.4 p -98.35 107.09 39.86 Favored Pre-proline 0 C--O 1.243 0.743 0 CA-C-O 120.51 0.195 . . . . 25.0 110.968 179.567 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.34 157.75 58.29 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 117.368 -1.288 . . . . 25.0 110.423 176.358 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -135.9 100.79 4.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.384 -0.599 . . . . 25.0 109.384 -175.7 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.205 -1.279 0 CA-C-O 123.618 1.675 . . . . 25.0 113.541 -178.473 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.05 0 CA-C-O 118.631 -1.094 . . . . 25.0 111.456 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -61.56 -41.13 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 118.94 1.37 . . . . 25.0 114.442 -173.815 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -67.11 -37.46 79.3 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 O-C-N 121.51 -0.744 . . . . 25.0 110.134 179.183 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -65.49 -45.32 84.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.097 0.475 . . . . 25.0 109.818 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -63.25 -40.65 98.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.635 -0.711 . . . . 25.0 110.698 -178.427 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 m -71.54 -31.83 67.48 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.743 0.275 . . . . 25.0 111.743 179.1 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -70.49 -49.96 43.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.9 0.381 . . . . 25.0 110.824 -178.867 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -87.97 -25.2 23.28 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.192 1.182 . . . . 25.0 114.192 -174.264 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.9 p -133.57 -177.22 4.44 Favored 'General case' 0 C--O 1.221 -0.395 0 O-C-N 121.623 -0.673 . . . . 25.0 110.174 -177.351 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.9 mm -71.62 117.54 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.874 0.845 . . . . 25.0 111.01 -167.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -88.43 96.06 10.45 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 178.429 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -73.21 167.28 21.5 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.292 -0.632 . . . . 25.0 109.292 -178.322 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.24 -29.79 69.0 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 122.224 -0.298 . . . . 25.0 110.914 178.769 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -67.91 -37.72 82.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.406 0.622 . . . . 25.0 110.933 179.402 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -66.3 -40.07 89.75 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 177.414 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.8 -37.04 85.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.847 0.314 . . . . 25.0 111.847 178.656 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.95 -31.12 70.68 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 122.014 -0.429 . . . . 25.0 111.864 177.088 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.15 -26.96 67.67 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 -179.642 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -71.12 -23.05 62.02 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.049 -0.407 . . . . 25.0 110.299 179.035 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.1 m -85.37 140.01 31.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.812 0.815 . . . . 25.0 109.835 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.213 -0.848 0 CA-C-O 125.08 2.371 . . . . 25.0 111.512 175.179 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.1 t80 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.809 -0.615 . . . . 25.0 109.631 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -136.67 143.69 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 -179.245 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -62.95 128.73 37.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.238 0.458 . . . . 25.0 112.238 -179.121 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -159.87 149.1 17.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 107.397 -1.335 . . . . 25.0 107.397 175.005 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -71.61 142.99 49.96 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 106.198 -1.778 . . . . 25.0 106.198 168.522 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -136.16 117.5 14.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.052 0.453 . . . . 25.0 111.008 -176.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -142.88 158.63 43.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 -178.233 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.12 -139.61 48.27 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.797 -0.716 . . . . 25.0 112.56 178.433 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.1 p -60.24 -29.81 69.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 179.568 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -63.86 -34.38 77.82 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.793 -0.567 . . . . 25.0 111.101 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.8 tp -66.57 -43.68 84.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 179.417 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.98 -42.26 91.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.711 -179.478 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -65.66 -30.53 71.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.842 -0.536 . . . . 25.0 111.359 179.495 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -33.25 65.45 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 122.064 -0.397 . . . . 25.0 110.023 178.415 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -66.33 -31.91 72.98 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.007 -0.277 . . . . 25.0 111.163 178.619 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -60.79 -36.84 80.01 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 120.887 -0.325 . . . . 25.0 110.266 174.672 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.81 -44.33 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.712 0.634 . . . . 25.0 112.712 179.897 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.3 t -79.31 -40.2 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.972 -172.216 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -17.27 43.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 177.227 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.31 -157.66 51.47 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 119.965 -1.112 . . . . 25.0 111.653 179.397 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.47 -6.46 25.11 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.416 1.636 . . . . 25.0 115.416 -177.146 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -72.13 -15.33 61.98 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.213 0.915 . . . . 25.0 111.419 -179.373 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.8 176.37 50.16 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 111.111 -0.796 . . . . 25.0 111.111 -178.497 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -163.03 179.29 7.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 104.312 -2.477 . . . . 25.0 104.312 -178.239 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -131.67 162.28 30.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 176.201 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -146.29 137.34 24.4 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 176.98 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.04 102.03 34.79 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-O 121.624 0.726 . . . . 25.0 109.446 -177.071 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -78.47 156.41 28.62 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 121.057 1.171 . . . . 25.0 112.539 -176.963 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.48 151.8 28.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 175.667 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.206 -1.202 0 CA-C-O 123.813 1.768 . . . . 25.0 113.015 -179.077 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.432 0 CA-C-O 118.866 -0.963 . . . . 25.0 111.594 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.6 tt -61.0 -31.17 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.107 0.953 . . . . 25.0 113.122 -176.056 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.82 -27.05 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.906 -0.496 . . . . 25.0 111.723 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -63.03 -33.11 74.73 Favored 'General case' 0 C--O 1.221 -0.428 0 O-C-N 122.006 -0.434 . . . . 25.0 111.229 -176.269 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -59.6 -33.45 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.275 -0.42 . . . . 25.0 111.403 -178.845 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -94.24 -23.43 17.87 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.478 -0.489 . . . . 25.0 111.656 179.348 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.84 -48.25 15.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -177.87 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -87.28 -22.82 24.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.837 0.351 . . . . 25.0 111.605 -173.612 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.492 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 78.4 p -143.86 -173.19 3.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -91.92 118.01 36.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.757 -0.589 . . . . 25.0 112.397 -169.839 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.8 113.14 20.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 167.197 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.7 p -73.91 169.45 17.41 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.029 -1.471 . . . . 25.0 107.029 176.591 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.99 -28.14 66.06 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 111.947 0.351 . . . . 25.0 111.947 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -68.85 -41.29 78.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.897 -0.502 . . . . 25.0 110.467 179.48 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -66.55 -40.97 89.32 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 175.807 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.18 -37.03 85.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -179.528 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -62.81 -31.56 72.57 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.445 -0.784 . . . . 25.0 111.758 175.008 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -26.74 68.8 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 178.066 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -70.99 -20.7 62.39 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.737 -0.602 . . . . 25.0 111.304 176.554 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 p -113.74 43.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.727 1.251 . . . . 25.0 110.435 177.379 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--O 1.216 -0.676 0 CA-C-O 124.693 2.187 . . . . 25.0 111.318 175.11 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.8 t80 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.908 -0.567 . . . . 25.0 109.782 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -136.9 143.59 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 -178.508 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -66.25 136.04 55.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.265 0.555 . . . . 25.0 110.569 -178.362 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -160.18 143.86 14.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 172.785 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.0 m-70 -70.48 146.42 50.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.306 -1.738 . . . . 25.0 106.306 167.91 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.5 mt -135.14 122.66 21.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 -173.53 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -133.72 158.1 44.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 177.161 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.98 -133.43 41.08 Favored Glycine 0 C--O 1.231 -0.04 0 C-N-CA 121.2 -0.524 . . . . 25.0 113.903 174.062 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.0 p -58.43 -31.98 68.25 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -179.392 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -64.58 -36.23 83.56 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.325 0.511 . . . . 25.0 111.425 -179.673 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.0 tp -67.0 -40.97 87.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.268 0.556 . . . . 25.0 109.64 -179.886 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.9 -42.69 89.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.319 178.699 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -62.94 -36.63 84.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.431 . . . . 25.0 110.653 179.018 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.52 -38.13 77.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.275 -0.42 . . . . 25.0 110.333 -179.277 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.59 -32.59 74.11 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 -178.449 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -59.28 -41.69 89.53 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.183 0.447 . . . . 25.0 110.302 175.921 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -71.98 -41.57 67.51 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -177.866 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -78.89 -41.53 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.092 0.472 . . . . 25.0 111.776 -173.408 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.44 -17.3 49.3 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 179.084 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.87 -153.51 52.96 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-O 121.826 0.681 . . . . 25.0 113.029 175.898 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -11.59 27.09 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 -178.711 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -65.71 -24.45 66.99 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 122.192 -0.317 . . . . 25.0 110.562 177.279 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.29 -172.6 55.23 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.008 -1.637 . . . . 25.0 109.008 -175.99 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -161.7 178.68 8.78 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 -178.925 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -140.68 168.82 18.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 104.066 -2.568 . . . . 25.0 104.066 178.266 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -147.26 130.5 16.51 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.797 -1.557 . . . . 25.0 106.797 175.795 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.03 87.45 48.57 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-O 122.522 1.153 . . . . 25.0 111.49 -175.266 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -80.39 151.01 19.93 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 N-CA-C 110.696 -0.54 . . . . 25.0 110.696 178.065 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -154.34 142.37 20.25 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 177.916 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.207 -1.183 0 CA-C-O 123.887 1.803 . . . . 25.0 112.917 -174.931 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.036 0 CA-C-O 118.468 -1.184 . . . . 25.0 111.323 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -62.58 -38.72 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 119.215 1.508 . . . . 25.0 112.717 -176.146 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.7 p -59.76 -28.92 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-O 121.358 0.599 . . . . 25.0 111.809 178.549 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -63.89 -35.52 80.92 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.127 -0.358 . . . . 25.0 111.212 -179.343 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -62.71 -40.91 98.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 25.0 110.774 -179.543 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -82.46 -12.41 57.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.324 0.491 . . . . 25.0 112.324 -177.548 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 m -82.68 -45.04 14.97 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 174.227 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 t -82.89 -24.79 33.0 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -177.345 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.474 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.2 t -136.94 177.37 7.92 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.811 -0.556 . . . . 25.0 110.355 179.158 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.8 mm -70.15 -43.41 78.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 115.519 1.674 . . . . 25.0 115.519 -162.091 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.1 m 56.04 82.19 0.11 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.944 0.878 . . . . 25.0 111.259 -171.086 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -66.33 168.57 8.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.664 -1.235 . . . . 25.0 107.664 174.546 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.17 -28.77 42.58 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -177.851 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -68.74 -37.9 79.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.975 0.417 . . . . 25.0 111.011 179.234 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -73.28 -35.93 66.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.423 0.63 . . . . 25.0 109.764 176.561 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.06 -32.12 73.42 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.777 -0.647 . . . . 25.0 111.688 178.899 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.13 -13.91 14.38 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 176.218 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -65.06 -27.41 68.76 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.853 -0.53 . . . . 25.0 110.921 174.39 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -82.81 -5.33 58.9 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.294 0.637 . . . . 25.0 111.952 -179.789 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.28 141.84 47.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.91 0.862 . . . . 25.0 112.098 -171.509 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 t30 . . . . . 0 C--O 1.207 -1.15 0 CA-C-O 124.529 2.109 . . . . 25.0 112.66 178.793 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 118.765 -0.636 . . . . 25.0 109.673 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.33 143.65 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -74.54 126.26 30.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.261 0.553 . . . . 25.0 111.926 179.617 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -158.98 150.04 20.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 103.826 -2.657 . . . . 25.0 103.826 170.188 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.474 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.6 m-70 -69.69 146.5 51.53 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 171.285 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 mt -132.36 120.88 22.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -171.897 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -129.36 157.04 43.03 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.497 -0.32 . . . . 25.0 110.271 176.938 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.31 -133.87 45.72 Favored Glycine 0 C--O 1.226 -0.348 0 C-N-CA 120.927 -0.654 . . . . 25.0 113.799 172.908 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.2 p -60.41 -29.87 69.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -179.351 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -62.8 -41.12 99.15 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.688 -0.633 . . . . 25.0 109.461 177.418 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -68.86 -43.29 75.71 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.858 -0.423 . . . . 25.0 109.858 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.93 -45.93 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.587 0.232 . . . . 25.0 111.361 179.605 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.25 -28.57 65.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.42 -0.8 . . . . 25.0 111.659 -179.222 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.92 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 176.19 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -65.46 -33.96 77.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.28 0.474 . . . . 25.0 112.28 -179.634 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -57.47 -40.33 78.33 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 120.797 0.332 . . . . 25.0 110.221 175.461 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.7 mt -71.84 -43.77 64.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -179.437 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.34 -43.37 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.109 0.481 . . . . 25.0 110.573 -174.257 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.6 m -84.56 -24.51 29.23 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -178.951 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.86 -138.05 48.97 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.085 -1.206 . . . . 25.0 110.085 -176.426 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -68.35 -6.84 26.56 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.979 1.474 . . . . 25.0 114.979 -179.337 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -70.26 -24.63 63.09 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.657 -0.652 . . . . 25.0 112.277 -178.6 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.89 167.14 36.94 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 110.794 -0.923 . . . . 25.0 110.794 -176.284 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -158.6 174.83 14.46 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -176.791 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -126.4 161.77 27.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.719 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -140.72 145.34 36.32 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 -178.338 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.9 p -107.18 95.5 13.24 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-O 120.535 0.207 . . . . 25.0 110.809 -178.669 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.27 155.0 41.64 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 118.066 -0.823 . . . . 25.0 113.251 -179.207 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -92.24 85.08 5.32 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.033 0.92 . . . . 25.0 109.617 176.974 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.207 -1.138 0 CA-C-O 123.559 1.647 . . . . 25.0 113.014 -179.162 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.784 0 CA-C-O 118.723 -1.043 . . . . 25.0 111.398 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.14 -33.28 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 118.915 1.357 . . . . 25.0 113.275 -171.841 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.03 -41.45 87.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 121.748 -0.595 . . . . 25.0 109.673 177.272 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.98 -39.9 96.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.984 -0.553 . . . . 25.0 109.746 178.547 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.44 -39.41 93.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.546 -0.297 . . . . 25.0 111.08 179.372 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 66.2 m -80.22 -13.26 59.37 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 178.265 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.04 -45.28 14.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.925 0.393 . . . . 25.0 110.057 175.229 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 t -84.74 -22.29 29.72 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.184 0.516 . . . . 25.0 111.941 -177.393 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.475 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 65.2 m -136.81 176.36 8.78 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 121.531 -0.73 . . . . 25.0 109.684 179.265 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.4 mm -71.83 -45.56 64.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 115.564 1.69 . . . . 25.0 115.564 -163.624 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.3 m 60.99 98.65 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 122.012 0.91 . . . . 25.0 111.374 -169.374 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.7 p -67.18 167.08 12.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 176.655 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.13 -33.73 65.43 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 122.156 -0.34 . . . . 25.0 111.81 -179.359 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.87 -37.68 86.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.454 0.645 . . . . 25.0 111.829 179.04 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -68.51 -38.78 81.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 177.262 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.76 -32.13 73.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.784 -0.643 . . . . 25.0 112.647 179.506 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -55.64 -28.94 58.18 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.402 0.547 . . . . 25.0 112.35 177.675 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -59.53 -27.91 66.6 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.889 0.7 . . . . 25.0 112.889 178.787 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -64.25 -23.08 67.18 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 122.356 -0.215 . . . . 25.0 110.706 178.744 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.8 p -128.36 35.7 4.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 177.283 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 N--CA 1.481 1.089 0 C-N-CA 125.364 1.466 . . . . 25.0 113.802 -175.939 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 118.971 -0.537 . . . . 25.0 109.818 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.4 129.78 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 -177.356 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -67.65 124.92 24.6 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.299 0.571 . . . . 25.0 111.383 178.385 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -160.3 149.49 17.38 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 104.083 -2.562 . . . . 25.0 104.083 173.515 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.6 m-70 -70.51 146.73 50.03 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 170.493 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 mt -128.33 113.3 15.43 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -170.523 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.5 m -129.6 157.59 41.66 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 175.705 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.56 -135.16 45.73 Favored Glycine 0 C--O 1.229 -0.164 0 C-N-CA 121.209 -0.519 . . . . 25.0 113.927 174.12 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -30.48 68.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -179.249 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.5 -37.15 86.19 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.717 -0.614 . . . . 25.0 110.33 179.047 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.78 -45.4 78.58 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 121.22 -0.192 . . . . 25.0 111.494 -178.245 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.46 -29.02 26.28 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 C-N-CA 119.792 -0.763 . . . . 25.0 111.426 -178.839 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.04 -32.74 71.02 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.561 -0.712 . . . . 25.0 110.383 175.275 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.79 89.72 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 174.603 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.62 -33.69 76.18 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 179.81 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -58.82 -43.68 90.69 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 175.377 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.94 -42.46 66.62 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -179.799 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -70.9 -47.73 60.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.781 0.289 . . . . 25.0 111.781 -174.567 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -14.33 50.83 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.051 -0.659 . . . . 25.0 109.828 -178.155 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.02 -148.01 49.95 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-O 122.246 0.914 . . . . 25.0 115.038 173.442 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -64.25 -16.2 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.712 1.004 . . . . 25.0 113.712 -176.078 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -22.55 64.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.363 0.265 . . . . 25.0 110.807 178.797 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.77 -176.11 54.79 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.218 -1.553 . . . . 25.0 109.218 -175.882 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -158.8 174.62 14.73 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.566 -2.013 . . . . 25.0 105.566 -178.645 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -126.23 158.74 34.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 175.541 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -148.43 145.33 27.95 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.709 -1.96 . . . . 25.0 105.709 -179.992 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.35 84.92 24.26 Favored Pre-proline 0 C--O 1.24 0.586 0 CA-C-O 121.742 0.782 . . . . 25.0 109.186 -177.902 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.09 159.95 33.51 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 119.817 0.345 . . . . 25.0 111.249 179.671 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -118.98 109.44 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 175.082 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 C--O 1.208 -1.112 0 CA-C-O 122.87 1.319 . . . . 25.0 111.507 -177.243 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.885 0 CA-C-O 119.071 -0.849 . . . . 25.0 111.181 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 19' ' ' TYR . 11.5 tt -82.84 -27.44 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -173.165 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.68 -43.15 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 121.399 -0.813 . . . . 25.0 112.551 -175.436 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -62.04 -28.59 69.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -176.27 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.7 -25.97 68.17 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.582 0.215 . . . . 25.0 111.582 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -97.06 -12.9 22.63 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.967 0.413 . . . . 25.0 111.175 176.52 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -92.23 -49.7 6.04 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -175.885 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -73.9 -19.32 60.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 25.0 112.01 -174.047 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.458 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 62.1 p -149.71 -178.08 6.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 -179.455 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.9 mm -86.13 133.82 28.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -176.095 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -116.98 145.38 43.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.464 -1.68 . . . . 25.0 106.464 173.067 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.4 p -94.09 171.5 8.81 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 -177.271 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.96 -28.07 68.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.813 0.339 . . . . 25.0 111.474 178.255 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -67.9 -40.72 83.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.068 0.461 . . . . 25.0 109.876 -179.871 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -70.21 -39.55 75.07 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.572 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -60.17 -35.3 75.04 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 -179.41 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.08 -28.13 62.34 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 119.031 0.832 . . . . 25.0 112.705 178.47 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -65.43 -26.9 68.17 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.115 0.413 . . . . 25.0 112.115 178.092 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.405 ' CZ ' HG12 ' A' ' 2' ' ' ILE . 12.4 m-85 -73.53 -12.73 60.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.485 -0.325 . . . . 25.0 111.728 -176.367 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -132.54 168.59 17.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 122.169 0.985 . . . . 25.0 112.368 -173.815 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--O 1.21 -1.012 0 CA-C-O 124.196 1.95 . . . . 25.0 113.557 178.356 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.4 t80 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.808 -0.615 . . . . 25.0 109.761 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.57 134.2 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -177.821 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.92 124.65 24.29 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.23 0.538 . . . . 25.0 111.513 178.094 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -160.17 147.06 16.03 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.801 -1.926 . . . . 25.0 105.801 173.841 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 71.9 m-70 -67.97 143.74 55.48 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.124 -1.065 . . . . 25.0 108.124 170.856 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 37.0 mt -128.78 105.61 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.282 0.233 . . . . 25.0 110.47 -175.117 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -117.33 -6.25 11.27 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.183 1.92 . . . . 25.0 116.183 -173.313 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.26 -126.0 1.11 Allowed Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.775 -0.726 . . . . 25.0 112.194 -176.188 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -28.83 63.14 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.218 0.509 . . . . 25.0 111.567 177.931 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -57.23 -36.93 71.51 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 175.667 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.56 -39.91 80.84 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 -178.264 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.11 -43.28 97.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.106 0.479 . . . . 25.0 109.93 177.68 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.01 -32.73 74.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.047 0.451 . . . . 25.0 110.935 179.326 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.91 -40.44 65.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.857 -0.424 . . . . 25.0 109.857 178.864 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.0 -34.54 78.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.457 -0.338 . . . . 25.0 111.347 -179.256 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -55.12 -45.15 75.53 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.04 0.448 . . . . 25.0 109.953 175.004 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.98 -43.77 64.59 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.517 0.932 . . . . 25.0 113.517 -178.739 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.19 -44.46 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.92 0.39 . . . . 25.0 111.937 -172.376 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -18.79 37.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.925 -0.768 . . . . 25.0 108.925 179.524 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.46 -143.8 46.12 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-O 122.392 0.996 . . . . 25.0 113.907 174.078 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 -10.18 50.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.766 1.395 . . . . 25.0 114.766 -176.833 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -76.76 -8.2 56.85 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.885 0.766 . . . . 25.0 111.131 -179.836 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.79 170.71 44.76 Favored Glycine 0 C--O 1.226 -0.381 0 N-CA-C 110.324 -1.11 . . . . 25.0 110.324 -179.686 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -158.52 171.38 20.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 -177.725 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -133.15 165.96 23.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.512 -2.033 . . . . 25.0 105.512 174.577 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -145.71 138.36 25.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 179.616 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.21 113.53 63.33 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 178.141 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -83.04 160.08 15.64 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 121.208 1.272 . . . . 25.0 112.853 -176.465 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -84.52 91.38 7.85 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 177.81 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 C--O 1.207 -1.155 0 CA-C-O 123.206 1.479 . . . . 25.0 111.573 -179.606 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.912 0 CA-C-O 118.965 -0.908 . . . . 25.0 111.651 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt -63.61 -43.37 98.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 118.742 1.271 . . . . 25.0 113.412 -175.826 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -66.14 -33.01 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 O-C-N 121.698 -0.626 . . . . 25.0 110.169 179.057 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -65.0 -40.49 95.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.366 -0.379 . . . . 25.0 109.992 178.827 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -60.63 -43.37 97.6 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.682 -0.235 . . . . 25.0 110.799 -178.634 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.0 m -75.12 -27.39 59.8 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.008 0.744 . . . . 25.0 113.008 179.386 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -83.36 -51.84 7.06 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -177.22 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -81.94 -19.43 40.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 25.0 111.174 -173.999 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.454 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.0 t -145.72 -175.32 4.69 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.976 -0.453 . . . . 25.0 110.054 179.573 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -87.55 133.46 30.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 -173.729 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.6 p -120.61 137.95 54.16 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 171.993 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.8 p -86.76 175.71 8.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 -175.039 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.38 -32.09 70.97 Favored 'General case' 0 C--O 1.215 -0.728 0 C-N-CA 121.131 -0.228 . . . . 25.0 111.019 177.492 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -67.68 -38.32 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.321 0.581 . . . . 25.0 110.548 179.321 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -67.11 -39.27 86.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 177.282 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.03 -33.41 75.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.802 -0.635 . . . . 25.0 112.601 179.554 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.23 -22.41 52.03 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 177.499 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -63.6 -26.87 68.88 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.422 0.527 . . . . 25.0 112.422 177.799 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -70.53 -29.57 66.08 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.243 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 m -89.37 49.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.151 0.977 . . . . 25.0 108.814 179.496 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.212 -0.91 0 CA-C-O 125.02 2.343 . . . . 25.0 113.62 -173.169 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.1 t80 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -138.28 143.75 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 106.222 -1.77 . . . . 25.0 106.222 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -69.96 133.59 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.708 0.766 . . . . 25.0 111.374 -178.86 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -160.36 155.37 24.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 103.555 -2.758 . . . . 25.0 103.555 172.056 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 72.0 m-70 -69.2 145.31 53.32 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.297 -1.372 . . . . 25.0 107.297 170.11 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.88 113.91 20.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.73 0.3 . . . . 25.0 111.218 -178.298 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 91.8 m -132.45 156.53 46.56 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 175.304 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.72 -129.68 41.76 Favored Glycine 0 CA--C 1.516 0.106 0 C-N-CA 121.067 -0.587 . . . . 25.0 114.095 174.121 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.3 p -59.99 -36.03 76.3 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 179.844 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -62.12 -35.09 77.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.962 -0.461 . . . . 25.0 110.98 -179.876 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.0 tp -68.86 -47.66 65.38 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.81 -0.356 . . . . 25.0 111.48 -179.378 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.54 -31.99 51.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 120.131 -0.628 . . . . 25.0 110.065 -178.155 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.36 -38.48 87.7 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.85 -0.531 . . . . 25.0 110.852 176.667 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.41 90.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.925 -0.31 . . . . 25.0 110.29 179.265 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.28 -34.65 78.15 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 -179.236 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -63.34 -38.56 91.64 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 120.696 -0.402 . . . . 25.0 110.227 177.141 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -71.92 -43.99 64.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 178.856 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.3 t -70.67 -45.57 73.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.146 0.498 . . . . 25.0 111.533 -173.785 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.8 m -94.62 -7.4 41.03 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.362 -176.62 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.15 -162.61 54.15 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-O 122.301 0.945 . . . . 25.0 114.377 172.989 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -68.01 -6.31 21.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.843 -0.678 . . . . 25.0 112.751 -178.815 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -68.58 -22.18 64.47 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.677 0.275 . . . . 25.0 110.318 177.569 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.14 -176.96 51.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.975 -0.631 . . . . 25.0 111.996 179.915 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -167.4 -178.98 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.491 -2.411 . . . . 25.0 104.491 -177.057 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -129.58 161.88 29.51 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.373 -1.343 . . . . 25.0 107.373 173.628 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -144.36 141.32 29.63 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 179.398 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.9 p -117.57 93.58 43.71 Favored Pre-proline 0 C--O 1.241 0.605 0 CA-C-O 121.229 0.538 . . . . 25.0 110.569 -178.613 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -71.4 169.72 20.14 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 118.049 -0.834 . . . . 25.0 111.776 179.592 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -131.33 97.34 4.23 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.583 -1.265 . . . . 25.0 107.583 178.584 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.21 -0.98 0 CA-C-O 124.604 2.145 . . . . 25.0 111.684 -176.81 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 CA-C-O 119.475 -0.625 . . . . 25.0 111.587 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt -61.8 -38.08 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.942 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.02 -34.95 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 121.695 -0.628 . . . . 25.0 110.41 -179.156 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mp0 -69.49 -40.6 76.94 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.667 -0.646 . . . . 25.0 109.742 176.677 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -56.87 -44.43 82.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.31 0.381 . . . . 25.0 110.273 -178.347 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.5 m -79.38 -30.06 42.35 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.309 -0.556 . . . . 25.0 111.813 -177.916 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 t -70.65 -50.59 35.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.739 0.304 . . . . 25.0 110.84 -179.274 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -88.06 -19.22 27.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -175.204 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.459 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 53.3 p -140.34 -171.17 3.14 Favored 'General case' 0 C--O 1.223 -0.318 0 O-C-N 121.649 -0.657 . . . . 25.0 110.853 -178.822 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.3 mm -97.67 108.38 21.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.839 -0.538 . . . . 25.0 110.377 -171.607 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 m -79.8 130.21 35.13 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 175.242 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.6 p -79.85 169.2 18.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 175.386 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.41 -30.46 68.47 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 -179.856 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -67.61 -37.29 82.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.444 0.64 . . . . 25.0 111.075 -179.669 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -69.46 -38.41 77.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 177.299 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.37 -33.88 76.88 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 179.092 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.8 -21.0 25.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 178.591 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -66.65 -26.93 67.29 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.746 -0.597 . . . . 25.0 112.368 177.104 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -81.2 -6.05 58.42 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.936 0.398 . . . . 25.0 111.813 178.781 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.76 157.54 37.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.778 0.799 . . . . 25.0 112.578 -170.727 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.7 t30 . . . . . 0 C--O 1.214 -0.808 0 CA-C-O 124.693 2.187 . . . . 25.0 111.568 178.934 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.951 -0.547 . . . . 25.0 109.533 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 81.7 t -131.02 133.08 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 -179.465 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -67.56 125.93 27.74 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.467 0.651 . . . . 25.0 110.141 177.804 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -160.31 143.77 13.78 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 105.955 -1.868 . . . . 25.0 105.955 176.262 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.459 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.6 m-70 -69.45 144.95 53.13 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 170.856 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.5 mt -129.46 105.42 8.09 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.942 -0.392 . . . . 25.0 109.942 -173.738 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.1 -57.51 1.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -176.049 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.15 -138.32 4.91 Favored Glycine 0 C--O 1.227 -0.32 0 N-CA-C 111.761 -0.536 . . . . 25.0 111.761 178.529 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -25.13 13.94 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 179.183 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -56.91 -36.49 70.22 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 175.693 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 tp -65.31 -42.23 93.25 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 -179.177 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.53 -43.17 96.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.231 178.58 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.13 -35.64 80.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.1 0.476 . . . . 25.0 111.023 -179.613 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.98 -38.96 69.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.356 -0.384 . . . . 25.0 110.166 179.915 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 mt -66.43 -28.12 68.36 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -177.927 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -60.71 -36.37 78.64 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.662 -0.415 . . . . 25.0 110.632 174.753 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.03 -43.42 65.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.107 0.479 . . . . 25.0 111.785 178.898 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.92 -42.33 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.896 -0.593 . . . . 25.0 110.999 -173.497 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.2 m -90.49 -13.03 35.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.58 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.1 -136.26 34.59 Favored Glycine 0 CA--C 1.52 0.362 0 CA-C-O 122.402 1.001 . . . . 25.0 113.128 179.185 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -72.46 -10.52 59.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.152 1.168 . . . . 25.0 114.152 -178.542 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.89 -19.32 54.95 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.955 -0.466 . . . . 25.0 111.059 -176.851 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.84 173.93 44.12 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 121.943 0.746 . . . . 25.0 113.674 178.611 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -159.96 176.97 11.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.079 -2.193 . . . . 25.0 105.079 -177.955 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -133.67 165.77 24.15 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 179.179 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -140.57 131.25 25.67 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.817 -1.549 . . . . 25.0 106.817 175.36 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 45.2 p -88.81 111.46 44.54 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 116.645 -0.252 . . . . 25.0 110.506 -179.5 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.35 173.49 13.68 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 117.729 -1.048 . . . . 25.0 110.979 176.909 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 147.38 27.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.21 -1.774 . . . . 25.0 106.21 179.032 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 38.3 p . . . . . 0 C--O 1.206 -1.203 0 CA-C-O 122.823 1.297 . . . . 25.0 111.235 -177.26 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.984 0 CA-C-O 118.559 -1.134 . . . . 25.0 111.234 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.0 tt -61.81 -41.49 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 119.447 1.624 . . . . 25.0 113.133 -171.077 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t -73.63 -40.69 54.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.735 0.779 . . . . 25.0 109.344 178.3 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -58.21 -40.52 81.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.142 -0.935 . . . . 25.0 111.387 -178.427 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -39.58 89.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.757 -0.201 . . . . 25.0 111.37 179.808 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -27.01 54.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.319 0.58 . . . . 25.0 111.498 179.409 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.2 m -70.65 -42.48 70.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.35 -0.386 . . . . 25.0 110.655 176.702 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -87.94 -23.49 23.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.952 1.093 . . . . 25.0 113.952 -176.226 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 48.8 m -137.01 158.68 43.91 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 121.26 -0.9 . . . . 25.0 111.357 -178.136 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp -78.48 118.94 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 122.008 -0.433 . . . . 25.0 110.16 -173.848 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.9 m -83.23 128.06 34.17 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 171.132 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.6 p -76.32 169.3 18.48 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.487 -2.042 . . . . 25.0 105.487 173.213 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.11 -30.48 68.14 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 122.062 -0.399 . . . . 25.0 111.302 179.381 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -68.89 -38.99 80.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.089 0.471 . . . . 25.0 111.156 179.395 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.94 -37.3 75.84 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.149 -0.686 . . . . 25.0 109.149 177.872 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.73 -31.98 73.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.736 -0.665 . . . . 25.0 112.335 177.43 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.36 -24.07 58.76 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 177.526 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -63.16 -28.42 70.04 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.593 -0.692 . . . . 25.0 111.607 176.221 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -89.07 -3.65 58.6 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.193 0.597 . . . . 25.0 110.387 -178.869 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 125.95 46.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.643 1.211 . . . . 25.0 113.089 -164.998 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 C--O 1.214 -0.802 0 CA-C-O 122.864 1.316 . . . . 25.0 110.02 179.018 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.9 t80 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.999 -0.524 . . . . 25.0 109.693 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -138.5 143.68 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 -179.313 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -64.48 126.62 28.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.583 0.706 . . . . 25.0 112.286 -178.995 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -160.17 148.74 17.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 104.578 -2.378 . . . . 25.0 104.578 172.526 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.7 m-70 -70.95 146.22 49.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 172.69 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 108.33 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.25 0.548 . . . . 25.0 111.967 -174.59 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -141.09 154.46 45.94 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 178.118 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.73 -143.69 48.71 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.499 -0.858 . . . . 25.0 111.392 -179.613 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -27.84 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 179.436 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -61.16 -32.0 71.73 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.868 -0.52 . . . . 25.0 111.211 179.203 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.19 -47.98 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.002 -0.279 . . . . 25.0 111.409 -179.743 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 m -71.43 -30.7 40.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.012 -0.675 . . . . 25.0 110.685 -178.168 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.54 -40.2 95.16 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.94 -0.475 . . . . 25.0 110.243 176.662 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.02 85.98 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 178.126 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -66.06 -30.59 71.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -178.626 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -61.42 -36.45 80.37 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.847 -0.341 . . . . 25.0 110.188 174.903 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.84 -40.9 68.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 178.939 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -74.59 -42.51 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.01 0.433 . . . . 25.0 111.534 -174.238 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -15.41 37.52 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.177 -0.609 . . . . 25.0 111.388 -179.657 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.74 -152.25 52.49 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.295 -0.955 . . . . 25.0 111.226 -178.549 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -66.59 -7.34 19.56 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.945 1.091 . . . . 25.0 113.945 -178.289 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -66.03 -26.26 67.44 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 -179.412 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.06 -179.97 51.88 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 108.176 -1.97 . . . . 25.0 108.176 -172.903 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -161.77 -175.83 4.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.7 -1.592 . . . . 25.0 106.7 -175.974 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -126.7 168.71 14.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.147 0.499 . . . . 25.0 109.948 -178.749 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -140.24 146.38 38.57 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 178.26 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.42 99.94 52.1 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 -178.915 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.16 174.78 9.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.127 1.885 . . . . 25.0 111.693 179.846 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -82.38 84.88 7.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 176.876 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.5 p . . . . . 0 C--O 1.211 -0.951 0 CA-C-O 124.7 2.19 . . . . 25.0 112.13 -178.901 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 CA-C-O 119.344 -0.698 . . . . 25.0 111.559 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.8 tt -63.68 -30.48 49.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 117.773 0.787 . . . . 25.0 112.18 -175.818 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.87 -42.39 94.72 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 O-C-N 121.712 -0.617 . . . . 25.0 109.959 179.119 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -64.82 -41.44 95.77 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 178.488 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -56.87 -40.04 75.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.472 -179.178 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.74 -10.44 42.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -178.782 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.4 t -91.97 -44.11 9.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.568 0.223 . . . . 25.0 110.856 178.502 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -87.81 -21.64 24.95 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.92 -0.488 . . . . 25.0 110.756 -179.534 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.462 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 50.8 m -130.75 -178.72 4.92 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 175.833 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -77.51 -50.72 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 115.722 1.749 . . . . 25.0 115.722 -164.457 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.8 m 63.09 111.99 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 122.181 0.991 . . . . 25.0 112.191 -167.817 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.1 p -71.69 165.38 24.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.432 -1.321 . . . . 25.0 107.432 175.402 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -56.65 -27.98 59.65 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -179.082 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -68.55 -37.46 79.95 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.21 0.529 . . . . 25.0 111.096 179.165 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -70.97 -34.16 71.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.417 0.627 . . . . 25.0 109.501 177.206 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.92 -32.18 72.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.184 178.391 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.35 -28.04 40.21 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.38 0.536 . . . . 25.0 112.221 178.244 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -59.34 -27.02 65.54 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.564 0.949 . . . . 25.0 113.564 178.681 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -72.49 -14.01 61.56 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 122.112 -0.368 . . . . 25.0 111.909 -179.373 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.5 m -82.64 151.87 26.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 -178.41 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t30 . . . . . 0 C--O 1.213 -0.825 0 CA-C-O 124.553 2.121 . . . . 25.0 112.139 -178.745 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.3 t80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.808 -0.615 . . . . 25.0 109.647 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t -125.79 133.23 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -178.807 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -71.13 128.78 37.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.296 0.569 . . . . 25.0 111.49 178.665 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -159.52 149.27 18.55 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 104.018 -2.586 . . . . 25.0 104.018 172.657 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.462 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.7 m-70 -70.42 144.87 51.38 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 170.882 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.9 mt -125.38 105.35 9.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.226 0.536 . . . . 25.0 112.403 -173.033 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 m -122.73 151.52 41.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 179.111 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.71 -133.65 47.35 Favored Glycine 0 C--O 1.228 -0.268 0 C-N-CA 120.939 -0.648 . . . . 25.0 113.275 176.019 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -29.24 67.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.158 1.17 . . . . 25.0 114.158 -179.121 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -36.41 83.11 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.75 -0.594 . . . . 25.0 110.563 179.502 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.6 tp -66.04 -42.7 89.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 179.286 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.15 -43.08 97.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.066 0.46 . . . . 25.0 110.59 178.771 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.65 -34.93 78.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.891 0.377 . . . . 25.0 110.882 -179.679 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.83 -38.3 73.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.948 -0.389 . . . . 25.0 109.948 -178.917 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.84 -27.98 69.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 -176.675 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -60.47 -42.47 96.3 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.895 -0.409 . . . . 25.0 109.895 174.313 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -71.88 -39.23 69.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.968 0.413 . . . . 25.0 111.783 179.104 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.96 -48.11 85.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 25.0 111.338 -174.647 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.33 -12.01 26.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.091 -0.644 . . . . 25.0 112.71 -177.049 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.65 -145.58 49.93 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.323 -0.941 . . . . 25.0 111.968 178.656 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -66.25 -9.58 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -178.038 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -69.06 -25.46 64.47 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 122.114 -0.366 . . . . 25.0 110.95 178.155 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.88 179.34 51.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.891 -0.671 . . . . 25.0 112.111 -177.901 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -162.98 179.41 7.58 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 104.505 -2.405 . . . . 25.0 104.505 -177.511 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -133.9 160.36 37.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 174.419 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -152.23 148.42 27.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 179.335 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.89 90.78 44.4 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-O 122.134 0.968 . . . . 25.0 109.104 -179.886 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.14 152.12 24.0 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 120.35 0.7 . . . . 25.0 112.059 -178.975 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 85.0 7.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.895 0.855 . . . . 25.0 109.718 178.282 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.207 -1.171 0 CA-C-O 123.641 1.686 . . . . 25.0 113.185 -178.876 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 CA-C-O 118.339 -1.256 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 tt -128.65 -36.34 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 118.269 1.034 . . . . 25.0 113.458 178.855 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.07 -44.94 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.396 -0.815 . . . . 25.0 111.211 -177.098 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -59.92 -41.02 90.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 179.774 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -64.12 -39.26 93.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.647 -177.141 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.3 m -83.44 -12.23 56.63 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 178.757 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -87.66 -47.58 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.861 0.362 . . . . 25.0 110.589 177.148 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -79.93 -22.51 42.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.05 -0.406 . . . . 25.0 111.051 -178.536 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.48 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.6 t -135.05 -173.3 3.28 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 178.876 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.3 mm -84.61 -35.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -166.171 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 m 61.56 -164.94 0.23 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -169.731 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.9 p -155.22 170.61 21.46 Favored 'General case' 0 CA--C 1.509 -0.596 0 N-CA-C 105.287 -2.116 . . . . 25.0 105.287 179.464 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -59.34 -33.44 71.15 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 118.088 0.403 . . . . 25.0 111.248 -179.712 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -66.6 -37.66 85.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.471 0.653 . . . . 25.0 111.48 179.958 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.41 -38.14 77.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 177.356 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.89 -32.14 73.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.632 -0.713 . . . . 25.0 112.664 178.985 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -55.36 -27.84 49.97 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.694 0.628 . . . . 25.0 112.694 177.817 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -61.19 -28.26 69.01 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.891 0.7 . . . . 25.0 112.891 179.114 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -68.56 -19.75 64.5 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.23 -0.294 . . . . 25.0 110.636 -179.938 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.5 p -131.61 41.84 3.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.288 1.042 . . . . 25.0 108.998 178.348 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.7 t30 . . . . . 0 C--O 1.214 -0.782 0 CA-C-O 124.718 2.199 . . . . 25.0 111.979 179.427 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.918 -0.563 . . . . 25.0 109.605 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -138.51 142.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 178.444 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -66.48 128.26 35.51 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.751 0.31 . . . . 25.0 111.592 -176.495 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -160.12 146.79 15.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.448 -2.056 . . . . 25.0 105.448 175.947 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 71.8 m-70 -71.81 145.12 48.87 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 172.189 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 49.2 mt -128.77 105.53 8.31 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 -173.531 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.4 m -115.56 -62.97 1.52 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -179.016 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.96 -131.2 3.99 Favored Glycine 0 C--O 1.225 -0.41 0 CA-C-N 116.145 -0.48 . . . . 25.0 112.849 -177.591 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -25.63 30.12 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 179.189 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -56.69 -39.3 73.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.164 -0.335 . . . . 25.0 111.667 175.881 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.86 -40.79 88.0 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -179.113 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.54 -43.23 98.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.316 178.804 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -66.24 -31.37 72.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.985 -0.447 . . . . 25.0 111.513 179.445 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.39 72.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 177.891 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.49 -32.43 74.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.21 0.448 . . . . 25.0 112.21 -179.881 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -58.1 -39.35 78.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.876 0.37 . . . . 25.0 110.663 175.585 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.79 -44.35 64.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 179.499 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.55 -43.82 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.118 0.485 . . . . 25.0 111.716 -172.533 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.0 m -84.81 -12.8 52.86 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 -178.832 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 51.96 -137.96 31.36 Favored Glycine 0 C--O 1.228 -0.267 0 CA-C-O 122.542 1.079 . . . . 25.0 115.186 174.313 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -70.28 -11.9 61.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -176.806 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.09 -19.77 50.4 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.247 -0.283 . . . . 25.0 110.358 -176.705 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.75 176.89 50.96 Favored Glycine 0 C--O 1.229 -0.183 0 C-N-CA 120.97 -0.633 . . . . 25.0 111.973 -179.944 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -163.41 177.73 8.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 -177.555 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -135.82 165.94 24.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 174.842 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -148.68 152.29 36.4 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 178.538 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -117.94 84.88 21.96 Favored Pre-proline 0 C--O 1.244 0.794 0 CA-C-O 122.149 0.976 . . . . 25.0 109.518 179.018 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -76.44 164.6 30.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 120.522 0.815 . . . . 25.0 110.08 177.807 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -134.81 126.07 28.14 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 106.375 -1.713 . . . . 25.0 106.375 179.756 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 122.885 1.326 . . . . 25.0 110.346 -173.21 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.091 0 CA-C-O 119.287 -0.73 . . . . 25.0 111.417 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.9 tt -56.86 -41.16 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 -170.371 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.92 -34.85 72.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 O-C-N 121.83 -0.544 . . . . 25.0 111.14 179.365 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.66 -42.62 77.68 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 178.438 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -63.03 -28.31 70.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.757 -178.323 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.8 m -85.95 -29.44 23.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 173.711 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -51.06 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.265 1.209 . . . . 25.0 114.265 -175.071 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -88.01 -19.27 27.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.463 0.649 . . . . 25.0 110.367 -174.348 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.429 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.5 p -140.63 -177.23 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 -179.515 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 mm -92.76 129.94 42.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 -175.976 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.0 p -110.02 139.06 45.56 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.745 -1.946 . . . . 25.0 105.745 172.201 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -79.84 170.87 15.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.549 -0.537 . . . . 25.0 109.549 -176.022 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.79 -29.43 68.2 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 116.842 -0.163 . . . . 25.0 111.27 178.555 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -67.77 -36.82 81.17 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 121.344 0.592 . . . . 25.0 110.867 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -69.47 -38.98 77.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 177.002 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.1 -33.57 74.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 25.0 112.274 178.053 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -55.91 -24.51 38.03 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.486 0.921 . . . . 25.0 113.486 178.709 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -64.04 -27.04 68.84 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 178.186 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -77.1 -12.86 60.0 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 179.229 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.26 154.06 41.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.705 1.24 . . . . 25.0 112.31 -172.378 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t30 . . . . . 0 C--O 1.216 -0.698 0 CA-C-O 123.788 1.756 . . . . 25.0 110.586 175.276 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.843 -0.598 . . . . 25.0 109.661 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.7 136.07 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 179.51 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -78.49 127.52 32.28 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.182 0.515 . . . . 25.0 111.206 -176.002 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -159.76 150.6 19.28 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 104.202 -2.518 . . . . 25.0 104.202 173.001 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.3 m-70 -72.01 145.96 47.99 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 170.734 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.54 113.77 19.75 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.721 0.408 . . . . 25.0 111.395 -177.039 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 99.7 m -132.48 152.5 51.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 175.409 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.63 -131.28 43.26 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.984 175.437 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.4 t -59.39 -32.49 70.19 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -33.99 76.27 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.326 -0.859 . . . . 25.0 111.225 179.347 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.2 tp -67.8 -42.95 80.8 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 178.01 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.32 -42.79 97.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.592 178.295 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.59 -36.4 83.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.884 0.373 . . . . 25.0 110.836 -179.484 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.03 -39.05 72.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.239 0.542 . . . . 25.0 109.806 -179.966 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.73 -29.39 69.36 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -177.597 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -58.65 -40.07 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.119 174.971 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.89 -45.57 60.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 179.582 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -72.7 -43.53 61.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.131 0.491 . . . . 25.0 111.161 -173.225 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m -85.1 -16.11 41.68 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.223 -0.298 . . . . 25.0 111.27 -178.417 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.89 -134.02 22.44 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-O 122.188 0.882 . . . . 25.0 114.182 177.802 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -69.6 -15.07 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 114.287 1.217 . . . . 25.0 114.287 -177.325 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.41 -23.14 60.11 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.916 0.389 . . . . 25.0 110.118 -178.039 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.99 174.92 47.69 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.598 -0.601 . . . . 25.0 111.598 -179.577 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -160.79 176.14 11.81 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 -177.827 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -137.04 163.17 31.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.539 -1.652 . . . . 25.0 106.539 178.119 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -147.01 143.73 28.63 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 177.747 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.81 105.06 51.83 Favored Pre-proline 0 C--O 1.247 0.934 0 N-CA-C 107.524 -1.288 . . . . 25.0 107.524 179.421 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -77.79 156.7 31.31 Favored 'Trans proline' 0 CA--C 1.519 -0.256 0 C-N-CA 121.841 1.694 . . . . 25.0 111.325 -176.893 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -140.1 100.16 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 -175.621 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.212 -0.917 0 CA-C-O 125.357 2.503 . . . . 25.0 112.035 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--O 1.223 -0.338 0 CA-C-O 120.834 0.35 . . . . 25.0 110.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -62.58 -41.36 98.89 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.914 -0.491 . . . . 25.0 111.39 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.37 -40.89 83.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.834 0.35 . . . . 25.0 110.338 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -79.77 -30.63 40.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.1 m -73.91 -47.88 34.74 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.685 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 t -88.16 -17.53 30.73 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.4 t -143.27 -168.67 2.86 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mt -107.18 105.49 18.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.537 0.684 . . . . 25.0 111.096 -169.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 m -74.08 122.4 22.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.0 p -75.75 169.87 17.28 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.573 -1.64 . . . . 25.0 106.573 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.92 -27.9 65.71 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 122.268 -0.27 . . . . 25.0 111.447 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -67.69 -38.87 84.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.904 0.383 . . . . 25.0 110.897 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -70.3 -39.15 75.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.498 -0.773 . . . . 25.0 112.879 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -52.19 -30.98 29.61 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -60.82 -26.89 67.65 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.802 1.038 . . . . 25.0 113.802 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -71.67 -4.85 29.66 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.989 0.366 . . . . 25.0 111.989 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -143.39 -178.33 5.82 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.735 0.779 . . . . 25.0 110.409 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--O 1.212 -0.917 0 CA-C-O 122.852 1.311 . . . . 25.0 111.961 178.732 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.2 t -113.09 130.91 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 107.335 -1.358 . . . . 25.0 107.335 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -73.94 135.55 43.25 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.661 0.744 . . . . 25.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -160.32 148.86 16.85 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 105.096 -2.187 . . . . 25.0 105.096 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 81.9 m-70 -66.96 141.47 57.6 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.691 -1.966 . . . . 25.0 105.691 167.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.8 mt -126.76 105.41 8.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.205 0.526 . . . . 25.0 111.899 -172.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.75 157.18 46.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.68 -141.09 47.48 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.627 -0.797 . . . . 25.0 112.282 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -59.91 -28.86 67.95 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -61.55 -40.44 94.7 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.757 -0.589 . . . . 25.0 110.285 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.63 -43.5 89.33 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.08 -46.39 96.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.893 0.377 . . . . 25.0 111.195 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -69.36 -28.65 66.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.666 -0.646 . . . . 25.0 112.147 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.06 74.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.45 -32.79 74.6 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -56.97 -42.03 79.41 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.982 0.42 . . . . 25.0 110.028 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.8 -44.04 64.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.5 t -73.07 -40.9 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 25.0 110.89 -173.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.5 m -83.44 -22.3 32.67 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.649 -0.42 . . . . 25.0 111.126 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.28 -143.01 48.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.461 -0.876 . . . . 25.0 112.753 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.01 -9.27 37.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.338 1.236 . . . . 25.0 114.338 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -70.62 -22.59 62.51 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.998 -0.439 . . . . 25.0 111.192 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.81 178.88 47.27 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 109.501 -1.44 . . . . 25.0 109.501 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -160.55 176.25 11.8 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -134.0 168.1 19.41 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.7 t80 . . . . . 0 C--N 1.322 -0.626 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 178.894 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--O 1.219 -0.549 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -58.54 -42.59 88.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.641 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -64.02 -39.99 95.33 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 121.015 -0.274 . . . . 25.0 111.461 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.0 m -73.28 -31.85 64.31 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.141 -0.623 . . . . 25.0 111.471 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.3 m -71.72 -45.21 62.5 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.979 -0.288 . . . . 25.0 111.406 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 t -88.03 -21.71 24.62 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.6 t -140.18 -172.58 3.45 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.049 -0.407 . . . . 25.0 110.39 -175.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mm -94.82 111.12 24.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 121.653 -0.654 . . . . 25.0 111.295 -170.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 m -90.0 111.82 23.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -74.37 170.63 15.25 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.792 -1.188 . . . . 25.0 107.792 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.68 -30.23 65.3 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -68.88 -38.92 80.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.255 0.55 . . . . 25.0 111.061 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -68.41 -37.8 80.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.13 -34.37 78.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.56 -0.745 . . . . 25.0 112.421 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.11 -23.52 55.21 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.1 -27.0 68.62 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 122.037 -0.415 . . . . 25.0 112.038 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -74.4 -19.09 60.55 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.063 -0.398 . . . . 25.0 110.728 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.3 m -83.47 73.93 10.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.507 0.67 . . . . 25.0 109.347 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 . . . . . 0 N--CA 1.481 1.096 0 C-N-CA 125.769 1.628 . . . . 25.0 114.81 179.49 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.1 t80 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.933 -0.556 . . . . 25.0 109.707 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 68.4 t -124.31 127.59 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 107.056 -1.461 . . . . 25.0 107.056 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -69.13 130.25 42.17 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.7 151.66 20.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.894 -2.261 . . . . 25.0 104.894 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 63.1 m-70 -69.13 144.75 53.79 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 106.645 -1.613 . . . . 25.0 106.645 170.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -127.11 105.82 8.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.078 0.466 . . . . 25.0 110.832 -173.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -138.02 160.0 40.54 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.53 -139.25 48.36 Favored Glycine 0 CA--C 1.516 0.111 0 C-N-CA 120.737 -0.744 . . . . 25.0 111.655 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -30.49 68.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -62.83 -33.3 74.95 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.839 -0.538 . . . . 25.0 111.216 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.98 -48.03 72.6 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.72 -0.392 . . . . 25.0 110.802 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.13 -29.42 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.174 -0.61 . . . . 25.0 111.169 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -64.07 -39.93 95.16 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.22 82.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.083 -0.34 . . . . 25.0 110.083 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.91 -31.41 72.63 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -61.01 -37.66 83.33 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.173 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.85 -43.3 65.73 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.6 t -73.09 -42.67 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 121.116 0.484 . . . . 25.0 111.505 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.71 -20.9 35.17 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.175 -0.61 . . . . 25.0 110.51 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.72 -156.71 52.47 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.483 -0.865 . . . . 25.0 111.849 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.58 -6.35 10.75 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -69.46 -23.93 63.73 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.972 -0.455 . . . . 25.0 110.41 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.19 172.53 44.7 Favored Glycine 0 C--O 1.225 -0.457 0 N-CA-C 111.599 -0.601 . . . . 25.0 111.599 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -158.27 175.87 13.19 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.281 -2.489 . . . . 25.0 104.281 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -131.41 162.68 29.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.3 t80 . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 105.95 -1.87 . . . . 25.0 105.95 177.445 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.221 -0.424 0 N-CA-C 111.637 0.236 . . . . 25.0 111.637 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -65.23 -40.78 94.51 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 121.368 -0.832 . . . . 25.0 111.061 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.36 -41.29 93.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.175 0.512 . . . . 25.0 110.067 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 m -75.29 -29.58 60.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -72.67 -50.13 26.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.874 0.369 . . . . 25.0 110.584 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -87.98 -24.15 23.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -132.89 179.07 6.4 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 122.087 -0.383 . . . . 25.0 110.906 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -70.04 117.45 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.778 0.799 . . . . 25.0 111.396 -167.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 t -92.42 83.23 4.95 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.6 p -71.41 168.82 16.64 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -58.13 -29.58 65.65 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 122.188 -0.32 . . . . 25.0 111.776 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.52 -38.2 77.44 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 121.36 0.6 . . . . 25.0 110.942 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.34 -39.37 81.92 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 109.017 -0.735 . . . . 25.0 109.017 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.55 -36.86 85.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.945 -0.57 . . . . 25.0 111.673 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.25 -26.37 66.4 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -67.42 -26.97 66.68 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -76.48 -15.99 59.77 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.419 0.628 . . . . 25.0 109.78 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.83 114.5 21.68 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -175.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 115.057 1.503 . . . . 25.0 115.057 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 81.9 t80 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 119.199 -0.429 . . . . 25.0 109.944 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.8 t -116.67 118.15 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -66.17 135.45 54.55 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 120.97 0.414 . . . . 25.0 110.495 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -160.3 159.09 30.88 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 104.608 -2.367 . . . . 25.0 104.608 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -68.39 140.79 55.85 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 168.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -133.27 119.45 19.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.969 0.414 . . . . 25.0 110.23 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -142.53 156.68 45.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.81 -143.11 48.39 Favored Glycine 0 CA--C 1.516 0.104 0 C-N-CA 120.655 -0.783 . . . . 25.0 111.884 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -28.13 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.404 0.891 . . . . 25.0 113.404 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -36.27 78.09 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.192 -0.317 . . . . 25.0 110.871 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.5 tp -66.21 -44.17 84.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.678 -0.489 . . . . 25.0 109.678 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.74 -42.15 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.859 -0.61 . . . . 25.0 110.709 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -63.35 -34.27 77.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.98 0.419 . . . . 25.0 111.136 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.8 61.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.532 -0.304 . . . . 25.0 110.653 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 mt -65.27 -31.11 72.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.743 0.275 . . . . 25.0 111.743 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -61.62 -35.33 77.58 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.741 -0.384 . . . . 25.0 110.567 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -71.87 -42.57 66.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.141 0.496 . . . . 25.0 112.275 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -78.51 -41.53 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 25.0 111.254 -172.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.2 m -80.57 -20.22 43.85 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.767 -0.373 . . . . 25.0 110.394 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.48 -144.85 47.5 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.138 -1.029 . . . . 25.0 111.06 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -64.68 -18.3 64.86 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.715 1.376 . . . . 25.0 114.715 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -70.53 -17.59 62.94 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.239 0.829 . . . . 25.0 113.239 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.59 178.96 50.72 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.97 -0.633 . . . . 25.0 113.153 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -163.56 179.1 7.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -136.63 168.56 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.416 -1.327 . . . . 25.0 107.416 173.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.0 t80 . . . . . 0 C--N 1.322 -0.621 0 N-CA-C 105.189 -2.152 . . . . 25.0 105.189 177.76 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--O 1.216 -0.672 0 CA-C-O 121.281 0.562 . . . . 25.0 109.894 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -61.81 -43.66 98.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.044 -0.526 . . . . 25.0 109.782 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -67.42 -38.14 84.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.293 -0.412 . . . . 25.0 110.724 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.1 m -73.04 -22.11 60.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.856 0.688 . . . . 25.0 112.856 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.32 -46.17 12.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.147 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -82.26 -23.58 35.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.442 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.2 t -137.7 -178.41 5.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.871 -0.518 . . . . 25.0 109.864 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -75.44 120.96 26.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.731 0.777 . . . . 25.0 111.073 -168.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HB3' HD12 ' B' ' 6' ' ' LEU . 6.7 t -87.74 77.46 8.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.318 -0.856 . . . . 25.0 109.272 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.8 m -64.3 159.69 20.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.885 -0.598 . . . . 25.0 109.817 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -53.42 -29.04 33.07 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.03 -38.0 89.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.364 0.602 . . . . 25.0 111.564 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -74.53 -38.9 62.65 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.7 mt -59.9 -36.88 77.9 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.828 -0.624 . . . . 25.0 111.994 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -56.92 -31.85 65.35 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.54 -26.94 67.37 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.015 0.746 . . . . 25.0 113.015 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -69.4 -21.87 63.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.232 0.539 . . . . 25.0 110.24 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 m -88.06 133.02 34.07 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 t30 . . . . . 0 N--CA 1.482 1.156 0 C-N-CA 125.287 1.435 . . . . 25.0 114.377 -176.169 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.3 t -123.56 133.49 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 106.623 -1.621 . . . . 25.0 106.623 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -74.46 132.58 42.04 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.886 -0.726 . . . . 25.0 110.637 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -160.23 147.91 16.43 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.937 -1.875 . . . . 25.0 105.937 170.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.0 m-70 -68.91 145.17 53.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 168.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 11' ' ' CYS . 89.6 mt -133.22 125.47 29.45 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -136.75 160.3 39.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.995 -0.743 . . . . 25.0 108.995 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.82 -134.44 43.56 Favored Glycine 0 C--O 1.227 -0.284 0 N-CA-C 114.606 0.602 . . . . 25.0 114.606 172.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -60.47 -31.91 70.9 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -63.9 -36.97 85.7 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.868 -0.52 . . . . 25.0 110.652 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.27 -42.5 83.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.8 -41.64 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.13 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -63.06 -33.01 74.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.003 0.43 . . . . 25.0 111.018 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.34 -34.09 63.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.737 0.303 . . . . 25.0 110.97 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.7 mt -64.71 -33.31 75.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.67 0.248 . . . . 25.0 111.67 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -57.65 -39.97 78.23 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 120.856 0.36 . . . . 25.0 110.481 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.02 -45.13 62.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -72.18 -42.94 66.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.055 -0.521 . . . . 25.0 111.493 -171.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.9 m -95.2 -11.42 28.1 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.132 -0.627 . . . . 25.0 111.478 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.84 -147.1 44.15 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.413 -0.899 . . . . 25.0 113.968 174.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -67.38 -6.47 19.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -72.97 -19.42 61.23 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 122.23 -0.294 . . . . 25.0 110.32 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.74 174.08 50.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.66 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -165.53 176.89 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.404 -2.073 . . . . 25.0 105.404 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -134.49 167.58 20.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.252 -1.018 . . . . 25.0 108.252 172.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.9 t80 . . . . . 0 C--N 1.321 -0.661 0 N-CA-C 105.761 -1.94 . . . . 25.0 105.761 177.824 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.221 -0.439 0 N-CA-C 110.77 -0.085 . . . . 25.0 110.77 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -67.03 -45.53 77.19 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.407 -0.808 . . . . 25.0 110.201 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -57.95 -42.31 84.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.19 -0.3 . . . . 25.0 110.19 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 t -77.24 -29.16 53.95 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.84 -45.22 21.26 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.855 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -88.0 -22.86 24.03 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.7 m -136.28 175.39 9.65 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 110.151 -0.315 . . . . 25.0 110.151 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mm -76.75 125.92 36.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 O-C-N 121.705 -0.622 . . . . 25.0 109.784 -171.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -104.48 108.13 19.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 172.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 p -73.19 173.06 9.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.035 -1.468 . . . . 25.0 107.035 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.75 -31.61 64.76 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -66.81 -38.83 87.23 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.942 -0.474 . . . . 25.0 111.375 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -66.54 -39.59 88.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.77 -36.49 83.7 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.477 -0.783 . . . . 25.0 112.535 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -55.14 -27.56 46.3 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.396 0.888 . . . . 25.0 113.396 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -63.18 -26.81 68.98 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -74.28 -2.71 26.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.431 0.292 . . . . 25.0 110.935 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 m -115.52 146.97 41.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.388 0.613 . . . . 25.0 110.418 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.7 t30 . . . . . 0 C--O 1.207 -1.158 0 CA-C-O 124.63 2.157 . . . . 25.0 113.299 -179.264 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 119.251 -0.404 . . . . 25.0 109.945 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t -97.7 112.28 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.732 -1.211 . . . . 25.0 107.732 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -68.74 131.92 45.96 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 121.175 0.512 . . . . 25.0 110.656 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -160.14 158.45 30.22 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 103.926 -2.62 . . . . 25.0 103.926 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -75.92 149.6 37.69 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 105.752 -1.944 . . . . 25.0 105.752 166.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.53 129.89 48.18 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.652 0.66 . . . . 25.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 98.1 m -140.16 159.99 40.94 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.2 -140.53 46.55 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 121.113 -0.565 . . . . 25.0 113.306 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -30.88 68.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -62.78 -31.82 72.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.046 -0.409 . . . . 25.0 111.115 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.9 -48.03 64.35 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.128 -0.229 . . . . 25.0 110.969 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.32 -29.27 38.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 119.68 -0.808 . . . . 25.0 110.721 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -62.81 -40.91 98.83 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.898 -0.501 . . . . 25.0 110.21 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.75 87.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.894 0.378 . . . . 25.0 110.251 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.55 -34.62 78.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.143 0.423 . . . . 25.0 112.143 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -61.61 -36.37 80.53 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.84 -48.09 48.5 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.02 -41.82 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.189 0.518 . . . . 25.0 111.074 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.3 m -101.85 -8.51 21.56 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.36 -141.57 41.09 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.024 -1.084 . . . . 25.0 114.038 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.48 -9.19 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 115.604 1.705 . . . . 25.0 115.604 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -75.32 -12.31 60.24 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.179 0.899 . . . . 25.0 111.781 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.24 177.43 51.7 Favored Glycine 0 C--O 1.237 0.292 0 C-N-CA 121.144 -0.55 . . . . 25.0 112.325 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -163.03 177.32 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -130.18 166.02 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.6 t80 . . . . . 0 C--N 1.323 -0.565 0 O-C-N 121.891 -0.506 . . . . 25.0 110.226 -177.789 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.223 -0.316 0 CA-C-O 120.321 0.105 . . . . 25.0 111.277 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -68.19 -37.51 81.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.714 -0.616 . . . . 25.0 110.274 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -62.28 -42.23 99.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.231 -0.44 . . . . 25.0 110.759 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.61 -22.41 47.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.139 0.422 . . . . 25.0 112.139 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.5 t -74.18 -49.97 21.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.743 0.306 . . . . 25.0 110.704 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -88.12 -21.65 24.54 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.305 0.854 . . . . 25.0 113.305 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.498 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 51.8 m -134.96 -173.86 3.43 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mt -106.9 107.25 22.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.309 0.576 . . . . 25.0 111.659 -169.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.1 m -80.84 119.51 23.5 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 173.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 p -73.57 168.7 18.78 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 174.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.32 -32.38 64.59 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 111.983 0.364 . . . . 25.0 111.983 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -64.33 -37.75 88.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.479 0.656 . . . . 25.0 111.618 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -72.89 -37.41 67.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.012 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.44 -32.23 73.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.005 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.94 -25.68 31.15 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.067 0.765 . . . . 25.0 113.067 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -61.16 -30.03 70.15 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -66.41 -17.13 64.61 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.137 0.494 . . . . 25.0 110.934 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 p -137.46 44.0 2.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.317 1.056 . . . . 25.0 108.698 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.0 t30 . . . . . 0 C--O 1.209 -1.058 0 CA-C-O 123.787 1.756 . . . . 25.0 112.552 -179.172 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.3 t80 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.885 -0.578 . . . . 25.0 109.822 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.8 t -120.43 125.07 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.64 130.15 41.03 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 120.845 0.355 . . . . 25.0 110.738 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -159.92 150.36 18.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 105.325 -2.102 . . . . 25.0 105.325 175.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.5 m-70 -66.97 142.13 57.36 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 169.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -125.44 105.45 9.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.265 0.555 . . . . 25.0 110.677 -174.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -138.86 157.8 45.38 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.03 -143.52 48.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.53 -0.843 . . . . 25.0 111.116 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -28.61 67.23 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.36 -37.04 79.44 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.978 -0.452 . . . . 25.0 111.219 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.89 -43.71 87.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 25.0 109.938 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.32 -43.56 94.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.456 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -63.56 -36.22 83.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 25.0 110.735 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.71 76.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.876 0.369 . . . . 25.0 110.191 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.06 -30.46 71.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.773 0.657 . . . . 25.0 112.773 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -60.36 -38.74 84.79 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.316 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.81 -44.59 63.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.439 0.533 . . . . 25.0 112.439 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.48 -40.69 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.046 -0.525 . . . . 25.0 111.616 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -82.68 -15.83 50.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.521 -0.309 . . . . 25.0 110.764 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.16 -157.95 52.3 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-O 121.9 0.722 . . . . 25.0 112.115 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -67.45 -6.3 18.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -67.11 -26.16 66.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.722 0.296 . . . . 25.0 111.116 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.63 -177.24 53.48 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.542 -1.023 . . . . 25.0 110.542 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -162.77 -179.55 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.836 -1.913 . . . . 25.0 105.836 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -133.23 167.64 20.0 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.8 t80 . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 106.746 -1.576 . . . . 25.0 106.746 177.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t . . . . . 0 C--O 1.215 -0.746 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -68.33 -39.43 81.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.196 -0.315 . . . . 25.0 110.513 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -58.21 -37.91 75.76 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.059 0.224 . . . . 25.0 111.549 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.8 m -86.51 -29.59 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -79.34 -55.6 4.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -174.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -88.07 -20.39 25.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.049 0.452 . . . . 25.0 111.484 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.461 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 50.4 m -133.55 -164.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.543 -1.28 . . . . 25.0 107.543 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mt -119.23 115.16 46.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -174.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -94.54 154.06 17.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.8 p -85.24 167.33 15.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.8 0.333 . . . . 25.0 110.501 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.53 -28.0 68.07 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.089 0.403 . . . . 25.0 112.089 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -67.2 -37.96 84.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -70.25 -38.41 75.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.2 mt -60.09 -35.96 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.492 0.553 . . . . 25.0 112.492 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.02 -26.7 60.71 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.238 0.829 . . . . 25.0 113.238 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -63.86 -27.06 68.9 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.886 0.698 . . . . 25.0 112.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -65.89 -27.86 68.52 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.036 0.446 . . . . 25.0 109.848 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.0 m -87.1 51.28 2.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.27 1.033 . . . . 25.0 109.947 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 124.791 2.234 . . . . 25.0 112.372 -177.511 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 119.008 -0.52 . . . . 25.0 109.838 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.6 t -107.47 119.76 57.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -74.34 129.43 37.78 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 120.421 -0.512 . . . . 25.0 110.912 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -159.67 155.52 26.24 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 103.279 -2.86 . . . . 25.0 103.279 172.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 76.8 m-70 -68.16 138.12 55.42 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 106.82 -1.548 . . . . 25.0 106.82 170.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 67.2 mt -126.35 105.3 8.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.289 0.566 . . . . 25.0 111.281 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -139.21 157.22 46.31 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.43 -137.94 47.26 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.571 -0.823 . . . . 25.0 112.128 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.6 p -61.21 -28.55 69.23 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -64.2 -37.18 86.54 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.672 -0.642 . . . . 25.0 110.537 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.87 -40.04 87.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.38 -42.95 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.033 0.444 . . . . 25.0 110.453 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -65.54 -31.77 73.0 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.892 -0.505 . . . . 25.0 111.36 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.39 75.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.957 -0.465 . . . . 25.0 109.943 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.2 -32.6 74.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -56.51 -43.53 79.83 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 120.958 0.409 . . . . 25.0 110.132 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.87 -44.23 64.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.229 0.826 . . . . 25.0 113.229 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 82.8 t -72.28 -43.32 65.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.73 -172.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -91.62 -12.87 33.01 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.22 -0.592 . . . . 25.0 110.762 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.69 -147.41 49.94 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-O 122.246 0.915 . . . . 25.0 114.429 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.19 -6.33 17.51 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -71.01 -21.95 62.22 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.848 0.356 . . . . 25.0 110.557 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.69 175.92 51.14 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.276 -1.129 . . . . 25.0 110.276 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -167.46 177.12 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -137.28 165.38 26.3 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.344 -1.724 . . . . 25.0 106.344 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--N 1.323 -0.584 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 178.348 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -64.77 -42.91 94.74 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 122.056 -0.402 . . . . 25.0 110.021 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -58.79 -45.05 90.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.719 0.295 . . . . 25.0 111.048 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.2 m -74.65 -25.14 59.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.3 t -83.41 -45.61 13.48 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -81.04 -24.19 38.05 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.08 -0.387 . . . . 25.0 111.939 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.47 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 60.2 m -143.41 -177.68 5.5 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.765 -0.585 . . . . 25.0 109.962 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.7 mm -86.3 134.21 27.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 -174.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 p -124.0 141.03 52.4 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 173.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.4 p -89.41 173.88 8.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.337 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.67 -28.59 65.88 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 112.273 0.472 . . . . 25.0 112.273 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -69.71 -35.51 75.11 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.372 0.606 . . . . 25.0 110.729 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -72.72 -33.49 66.46 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.92 -35.12 80.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.606 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.22 -25.24 46.65 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -61.24 -26.8 67.99 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -73.31 1.77 8.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.736 0.414 . . . . 25.0 111.494 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -116.79 147.07 42.41 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 124.382 2.039 . . . . 25.0 111.285 178.602 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 t80 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 118.939 -0.553 . . . . 25.0 109.684 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -114.03 127.84 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -75.98 126.69 31.48 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 120.636 -0.425 . . . . 25.0 110.303 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -160.03 148.04 16.84 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 105.647 -1.983 . . . . 25.0 105.647 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.47 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.9 m-70 -69.61 144.6 52.95 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 170.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 mt -129.35 105.26 8.0 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 122.833 0.453 . . . . 25.0 109.918 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 62.5 m -110.14 -71.89 0.74 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.682 0.993 . . . . 25.0 113.682 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.08 -117.13 2.02 Favored Glycine 0 C--O 1.225 -0.433 0 CA-C-N 116.193 -0.458 . . . . 25.0 113.258 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.0 p -56.69 -31.89 64.9 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -58.04 -38.07 75.56 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.029 0.381 . . . . 25.0 112.029 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 29.2 tp -68.77 -41.96 78.12 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 109.532 -0.544 . . . . 25.0 109.532 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.55 -44.64 96.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.195 0.521 . . . . 25.0 110.425 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.02 -34.27 77.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 25.0 110.833 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.18 76.07 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.58 -32.37 73.66 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -59.05 -37.94 78.2 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 110.207 -0.294 . . . . 25.0 110.207 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.94 -46.01 59.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.0 -44.06 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 25.0 111.918 -171.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.49 -9.89 39.77 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.05 -0.66 . . . . 25.0 111.41 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.99 -145.73 45.8 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.103 -1.046 . . . . 25.0 113.073 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -70.73 -8.15 50.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 115.279 1.585 . . . . 25.0 115.279 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -74.71 -15.1 60.8 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.094 0.861 . . . . 25.0 112.116 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.21 173.54 48.57 Favored Glycine 0 C--O 1.228 -0.229 0 C-N-CA 121.118 -0.563 . . . . 25.0 111.714 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -164.46 178.67 7.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -129.05 160.26 33.34 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.0 t80 . . . . . 0 C--N 1.321 -0.65 0 N-CA-C 105.723 -1.954 . . . . 25.0 105.723 178.266 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 112.342 0.497 . . . . 25.0 112.342 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.13 -33.12 72.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -177.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.97 -25.91 67.9 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.9 m -110.31 2.87 19.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.935 0.398 . . . . 25.0 111.593 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -109.27 -51.28 2.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -78.32 -20.96 50.33 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.292 0.568 . . . . 25.0 110.379 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -143.05 165.95 25.97 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 102.031 -3.322 . . . . 25.0 102.031 174.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' H ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.63 157.9 3.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 178.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -131.61 157.74 42.87 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 104.584 -2.376 . . . . 25.0 104.584 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.8 p -84.46 169.49 14.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.882 0.372 . . . . 25.0 110.759 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.48 -27.84 67.88 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 121.105 0.479 . . . . 25.0 111.341 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -68.47 -34.87 76.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.535 0.683 . . . . 25.0 110.048 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -73.26 -35.43 66.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.056 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.54 -32.09 72.98 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.492 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.17 -23.66 49.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.529 0.937 . . . . 25.0 113.529 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -66.3 -29.41 69.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.301 0.572 . . . . 25.0 111.839 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -74.45 -20.19 60.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.8 m -80.54 48.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t30 . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 123.772 1.749 . . . . 25.0 114.649 -179.015 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.3 t80 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 119.095 -0.479 . . . . 25.0 109.744 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.3 t -126.19 127.19 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -73.36 129.01 37.1 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -158.04 147.58 19.78 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 104.711 -2.329 . . . . 25.0 104.711 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -63.77 111.45 2.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.21 -0.45 . . . . 25.0 110.589 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.1 mt -125.3 138.91 54.08 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -153.31 163.02 40.66 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.965 -1.494 . . . . 25.0 106.965 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.98 -140.6 44.01 Favored Glycine 0 N--CA 1.453 -0.188 0 N-CA-C 110.757 -0.937 . . . . 25.0 110.757 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.3 p -58.42 -29.87 66.44 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.448 0.536 . . . . 25.0 112.448 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -70.65 -28.31 64.71 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.519 -0.738 . . . . 25.0 112.456 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 tp -73.61 -37.69 65.32 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.2 t -61.26 -39.26 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.206 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.47 -34.87 78.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.013 -0.429 . . . . 25.0 110.815 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -37.41 66.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.423 . . . . 25.0 109.916 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.49 -34.87 78.72 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.294 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -57.97 -38.91 76.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.329 0.513 . . . . 25.0 111.088 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -71.79 -43.67 65.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -76.45 -37.98 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.454 0.645 . . . . 25.0 110.899 -173.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' B' ' 24' ' ' PHE . 55.9 m -82.87 -22.01 34.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.386 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.54 -145.43 49.69 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.175 -1.17 . . . . 25.0 110.175 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mp0 -71.87 -9.96 59.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 115.004 1.483 . . . . 25.0 115.004 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -73.56 -16.04 61.27 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -174.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.44 176.16 51.27 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.824 -0.703 . . . . 25.0 112.523 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.409 ' HB3' ' SG ' ' B' ' 19' ' ' CYS . 48.6 p90 -165.39 -177.58 4.55 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 -175.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -129.16 161.87 29.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.769 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.2 t . . . . . 0 C--O 1.219 -0.526 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.32 -38.11 89.86 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -58.79 -42.57 89.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.274 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -78.9 -25.47 43.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.04 -50.29 10.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -176.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -87.24 -23.76 24.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.976 0.417 . . . . 25.0 111.109 -173.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.463 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.8 m -135.67 -179.25 5.53 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.948 -0.39 . . . . 25.0 109.948 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mm -87.9 131.75 34.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -117.92 136.23 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 172.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p -82.85 173.2 12.05 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.008 -0.367 . . . . 25.0 110.008 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -59.37 -29.37 67.65 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 111.726 0.269 . . . . 25.0 111.726 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -68.21 -35.03 77.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.725 0.774 . . . . 25.0 110.552 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -73.45 -33.67 65.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.04 -33.13 74.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.099 -0.5 . . . . 25.0 112.029 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.53 -29.21 64.16 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.071 -0.393 . . . . 25.0 111.706 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.58 -26.89 68.25 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -67.63 -24.51 65.47 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 122.3 -0.25 . . . . 25.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.84 36.89 3.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.245 1.022 . . . . 25.0 110.308 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 t30 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 123.524 1.631 . . . . 25.0 114.975 -177.164 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 t80 . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.62 117.58 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.24 129.14 38.95 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -160.01 150.52 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 105.355 -2.091 . . . . 25.0 105.355 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.463 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.8 m-70 -69.87 144.24 52.58 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 168.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.1 mt -129.2 112.82 14.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.515 0.561 . . . . 25.0 112.515 -172.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 70.7 m -131.8 156.69 45.56 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.484 -0.562 . . . . 25.0 109.484 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.71 -137.11 43.7 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 121.272 -0.489 . . . . 25.0 113.51 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -27.98 66.06 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 113.665 0.987 . . . . 25.0 113.665 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -39.91 95.0 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.603 -0.686 . . . . 25.0 109.893 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 tp -66.99 -41.47 86.69 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.93 -43.33 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.659 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.95 -32.7 74.35 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.856 -0.528 . . . . 25.0 111.402 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.65 78.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.09 -0.707 . . . . 25.0 109.09 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.1 -33.45 76.07 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -55.06 -44.57 74.87 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.031 0.443 . . . . 25.0 110.378 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.95 -43.58 65.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.433 0.901 . . . . 25.0 113.433 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.0 t -74.58 -40.63 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.259 0.552 . . . . 25.0 111.546 -173.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.5 m -81.78 -22.52 37.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.29 -150.98 52.1 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-O 121.861 0.701 . . . . 25.0 113.484 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.23 -8.1 22.48 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -70.41 -23.02 62.68 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.304 -0.247 . . . . 25.0 110.899 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.61 177.34 51.71 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 109.916 -1.274 . . . . 25.0 109.916 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -165.58 177.28 7.48 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -134.57 166.17 23.51 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.665 -1.606 . . . . 25.0 106.665 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.0 t80 . . . . . 0 C--N 1.32 -0.715 0 N-CA-C 107.032 -1.47 . . . . 25.0 107.032 177.589 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.218 -0.581 0 CA-C-O 120.616 0.246 . . . . 25.0 110.937 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -62.28 -42.83 99.68 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.82 -38.5 91.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.136 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.3 m -74.37 -30.9 62.19 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.543 -0.463 . . . . 25.0 111.646 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.9 m -70.05 -47.96 59.87 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.041 -0.263 . . . . 25.0 110.864 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -88.0 -24.78 23.42 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.776 1.028 . . . . 25.0 113.776 -174.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.44 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.6 t -138.34 -170.24 2.77 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.828 -0.545 . . . . 25.0 110.456 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.8 mm -92.65 124.14 44.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 121.72 -0.613 . . . . 25.0 111.408 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 m -104.07 119.79 39.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.9 p -76.39 170.41 16.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.38 -29.24 65.87 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -70.16 -39.28 75.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.114 0.483 . . . . 25.0 111.05 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.08 -36.88 80.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.18 -33.27 74.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.59 -0.732 . . . . 25.0 112.278 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.64 -24.99 62.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -60.6 -26.91 67.34 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -70.93 -21.74 62.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.322 -0.236 . . . . 25.0 111.346 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.4 m -83.12 67.35 9.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.774 0.797 . . . . 25.0 110.37 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--O 1.212 -0.905 0 CA-C-O 125.023 2.344 . . . . 25.0 111.87 178.679 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.7 t80 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.773 -0.632 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.8 t -124.17 130.45 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -66.96 128.71 37.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.907 0.384 . . . . 25.0 110.729 177.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -159.16 149.08 19.01 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 105.998 -1.853 . . . . 25.0 105.998 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 64.0 m-70 -67.67 144.83 55.3 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 170.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -135.78 117.75 15.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.641 0.258 . . . . 25.0 110.766 -175.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -143.38 159.95 41.43 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -141.18 46.43 Favored Glycine 0 C--O 1.231 -0.071 0 C-N-CA 120.919 -0.658 . . . . 25.0 111.686 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -29.39 67.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -34.16 75.85 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.957 -0.464 . . . . 25.0 111.405 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.25 -43.73 85.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.75 -41.91 88.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.236 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.68 -36.11 79.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.168 0.509 . . . . 25.0 110.612 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.2 75.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.765 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.28 -30.73 71.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -59.99 -41.7 92.6 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.1 mt -71.75 -41.22 68.7 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.51 -44.15 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.262 -0.426 . . . . 25.0 111.016 -174.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -20.57 27.23 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.9 -0.72 . . . . 25.0 111.751 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.27 -140.68 46.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.615 -0.802 . . . . 25.0 112.379 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.94 -23.56 61.55 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -63.74 -28.12 69.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 -179.27 47.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.838 -0.696 . . . . 25.0 111.907 -177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -166.82 177.66 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 104.461 -2.422 . . . . 25.0 104.461 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -140.08 165.42 27.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.559 -1.645 . . . . 25.0 106.559 171.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 107.624 -1.251 . . . . 25.0 107.624 179.483 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.216 -0.705 0 N-CA-C 110.579 -0.156 . . . . 25.0 110.579 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -67.59 -43.26 80.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -61.11 -33.71 73.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.392 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -83.13 -24.92 32.38 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.175 0.806 . . . . 25.0 113.175 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.5 -58.55 2.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -175.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -81.72 -18.29 44.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.223 0.535 . . . . 25.0 110.452 -173.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.492 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 39.7 m -138.98 -165.65 1.88 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.235 -1.394 . . . . 25.0 107.235 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.404 HD13 ' HB2' ' B' ' 3' ' ' ASN . 30.3 mt -116.23 112.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 -173.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -85.29 146.96 26.79 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -81.63 169.88 16.49 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.15 -29.52 69.83 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 122.276 -0.265 . . . . 25.0 111.13 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -67.24 -36.26 81.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.595 0.712 . . . . 25.0 110.288 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -71.24 -37.51 72.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.87 -0.605 . . . . 25.0 109.48 177.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.93 -35.82 77.72 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 111.874 0.324 . . . . 25.0 111.874 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -55.35 -25.1 32.96 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -64.76 -26.84 68.53 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -67.77 -10.98 57.38 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.855 -0.528 . . . . 25.0 110.594 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.1 m -103.5 22.55 14.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.345 0.593 . . . . 25.0 110.278 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 . . . . . 0 C--O 1.213 -0.844 0 CA-C-O 125.104 2.383 . . . . 25.0 111.59 -177.476 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 p -137.14 143.44 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 107.322 -1.362 . . . . 25.0 107.322 -178.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.404 ' HB2' HD13 ' A' ' 10' ' ' ILE . 6.4 p30 -77.38 134.0 38.56 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.716 0.77 . . . . 25.0 111.528 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -160.24 152.05 20.06 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 104.426 -2.435 . . . . 25.0 104.426 170.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.0 m-70 -67.3 143.53 56.37 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.235 -1.394 . . . . 25.0 107.235 169.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.4 mt -128.9 105.31 8.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.138 1.162 . . . . 25.0 114.138 -171.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 70.8 m -127.55 154.46 45.15 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -137.07 50.53 Favored Glycine 0 C--O 1.229 -0.166 0 C-N-CA 120.817 -0.706 . . . . 25.0 113.261 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -27.77 65.15 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -62.03 -40.72 96.69 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 121.877 -0.514 . . . . 25.0 110.396 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.19 -40.52 90.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.008 0.432 . . . . 25.0 109.902 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.67 -44.91 98.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.057 -0.52 . . . . 25.0 110.597 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.41 -31.53 72.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.785 -0.572 . . . . 25.0 111.347 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.44 80.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.82 -32.84 74.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -58.14 -42.02 84.96 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 110.073 -0.343 . . . . 25.0 110.073 175.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.56 -42.01 68.36 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -74.5 -41.33 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.998 0.428 . . . . 25.0 111.386 -174.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -17.73 33.45 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.033 -0.667 . . . . 25.0 111.345 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.5 -154.58 52.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.608 -0.806 . . . . 25.0 112.658 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -65.81 -6.39 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.532 1.308 . . . . 25.0 114.532 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -69.35 -23.12 63.72 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.316 -0.24 . . . . 25.0 111.349 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.51 178.23 52.28 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 109.567 -1.413 . . . . 25.0 109.567 -175.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -163.94 -179.45 6.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.911 -1.885 . . . . 25.0 105.911 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -136.49 169.02 18.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.6 t80 . . . . . 0 C--N 1.322 -0.629 0 N-CA-C 106.303 -1.739 . . . . 25.0 106.303 176.872 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.219 -0.503 0 N-CA-C 109.905 -0.405 . . . . 25.0 109.905 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -65.96 -42.21 90.21 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 122.068 -0.395 . . . . 25.0 110.195 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.73 -38.14 80.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.151 0.282 . . . . 25.0 110.955 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.3 m -81.3 -26.82 35.39 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.317 -0.553 . . . . 25.0 111.921 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 t -72.1 -54.09 10.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.188 0.518 . . . . 25.0 110.602 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -87.85 -18.56 28.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -174.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.45 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 23.9 p -142.49 -174.5 4.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.737 -0.468 . . . . 25.0 109.737 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -89.57 127.63 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 121.514 -0.741 . . . . 25.0 111.504 -168.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 m -109.89 119.12 38.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 168.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -76.15 169.24 18.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.741 -1.578 . . . . 25.0 106.741 175.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.57 -30.13 65.0 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -67.44 -36.84 82.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.434 0.635 . . . . 25.0 111.382 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -72.01 -33.59 68.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.378 0.608 . . . . 25.0 109.845 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.97 -32.1 73.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.661 -0.699 . . . . 25.0 111.73 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -57.31 -19.4 22.0 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -65.49 -26.99 68.17 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.676 -0.64 . . . . 25.0 112.194 176.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -73.85 -10.59 59.82 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.832 0.348 . . . . 25.0 111.585 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 131.21 42.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.184 -1.413 . . . . 25.0 107.184 178.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 114.609 1.337 . . . . 25.0 114.609 -178.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.93 -0.557 . . . . 25.0 109.781 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.42 141.34 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.541 -1.281 . . . . 25.0 107.541 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -69.13 136.09 51.69 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 120.911 0.386 . . . . 25.0 110.628 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -160.28 156.08 25.83 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.254 -2.498 . . . . 25.0 104.254 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.8 m-70 -67.99 141.95 56.1 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 106.124 -1.806 . . . . 25.0 106.124 169.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.3 mt -133.39 113.36 12.47 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.83 0.347 . . . . 25.0 110.906 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -141.64 154.76 45.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.51 -141.54 47.86 Favored Glycine 0 C--O 1.229 -0.163 0 C-N-CA 120.582 -0.818 . . . . 25.0 111.515 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -29.22 67.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -38.51 85.23 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 122.04 -0.413 . . . . 25.0 110.546 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 tp -67.19 -44.23 80.17 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.19 -43.8 98.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.009 0.433 . . . . 25.0 111.02 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -63.66 -35.02 79.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.165 0.507 . . . . 25.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.18 -38.83 69.0 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.17 -32.6 74.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.384 0.512 . . . . 25.0 112.384 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.55 -40.74 79.54 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 120.945 -0.302 . . . . 25.0 110.35 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.94 -43.85 64.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.03 0.752 . . . . 25.0 113.03 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.58 -42.66 71.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 25.0 111.308 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 m -86.18 -20.79 28.05 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.735 -0.386 . . . . 25.0 111.777 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.57 -129.9 20.96 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-O 122.205 0.892 . . . . 25.0 113.764 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -62.31 -21.53 65.33 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -23.18 61.1 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.636 -0.665 . . . . 25.0 112.385 -177.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.25 172.72 37.84 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.984 -0.846 . . . . 25.0 110.984 -175.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -160.02 176.69 11.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -130.62 161.2 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.5 t80 . . . . . 0 C--N 1.321 -0.644 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 178.729 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.471 0.595 0 CA-C-O 121.068 0.461 . . . . 25.0 110.767 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.03 -44.31 89.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -38.22 88.72 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.234 -0.187 . . . . 25.0 111.367 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.5 m -73.79 -17.31 61.1 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.59 -51.46 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.052 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -76.27 -23.5 54.43 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.211 -0.306 . . . . 25.0 111.761 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.493 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 49.4 m -136.13 -169.08 2.35 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 107.948 -1.13 . . . . 25.0 107.948 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' B' ' 3' ' ' ASN . 33.7 mt -110.44 113.11 43.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.208 0.527 . . . . 25.0 111.714 -170.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 m -83.36 120.2 25.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 171.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.5 p -72.34 168.4 18.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 176.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -57.7 -30.01 65.16 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.963 -0.46 . . . . 25.0 111.577 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -67.11 -38.63 85.98 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 121.455 0.645 . . . . 25.0 111.127 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -70.64 -36.56 73.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.07 -32.09 73.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.186 -0.461 . . . . 25.0 112.022 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.93 -22.12 47.21 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -62.08 -27.59 69.02 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.91 -0.494 . . . . 25.0 112.093 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -77.22 -16.24 59.14 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.78 61.61 2.48 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.383 1.253 . . . . 25.0 114.383 -171.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.2 t30 . . . . . 0 C--O 1.208 -1.091 0 CA-C-O 124.348 2.023 . . . . 25.0 112.065 175.011 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.9 t80 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 119.008 -0.52 . . . . 25.0 109.668 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.2 143.64 34.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 106.59 -1.634 . . . . 25.0 106.59 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.404 ' HB2' HG21 ' A' ' 10' ' ' ILE . 8.4 p30 -72.88 137.16 45.48 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.112 -0.635 . . . . 25.0 110.507 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -160.3 147.03 15.79 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.362 -2.088 . . . . 25.0 105.362 171.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.493 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.3 m-70 -66.7 142.38 57.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 169.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -126.63 105.37 8.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.245 0.545 . . . . 25.0 111.869 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 45.1 m -118.57 148.66 42.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.347 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.06 -136.87 50.5 Favored Glycine 0 C--O 1.227 -0.286 0 C-N-CA 120.619 -0.8 . . . . 25.0 113.402 175.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -26.28 65.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.82 1.044 . . . . 25.0 113.82 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -38.52 84.38 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.664 -0.647 . . . . 25.0 109.622 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.29 -43.67 81.17 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.827 -0.435 . . . . 25.0 109.827 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.59 -44.1 96.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.733 0.302 . . . . 25.0 111.061 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -68.0 -29.73 68.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.942 -0.474 . . . . 25.0 111.548 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.61 70.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.14 -33.95 76.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.368 -0.378 . . . . 25.0 111.816 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.13 -39.46 78.79 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.616 -0.433 . . . . 25.0 110.302 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.82 -46.43 58.14 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.09 -44.65 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.262 0.553 . . . . 25.0 110.877 -173.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.1 m -84.04 -17.81 39.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.192 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.67 -154.97 38.11 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.381 -0.914 . . . . 25.0 112.424 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.89 -6.59 22.57 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -18.77 62.4 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.128 -0.357 . . . . 25.0 110.983 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.78 174.18 49.74 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.982 -0.627 . . . . 25.0 112.048 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -163.51 -179.45 6.48 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.798 -1.186 . . . . 25.0 107.798 -176.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -123.73 157.66 33.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 t80 . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 107.679 -1.23 . . . . 25.0 107.679 179.658 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 121.459 0.647 . . . . 25.0 111.567 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.56 -40.52 97.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.82 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -64.87 -39.46 93.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.821 0.304 . . . . 25.0 111.821 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.1 m -78.85 -18.87 53.28 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.543 -0.463 . . . . 25.0 111.596 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -79.03 -42.63 26.06 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -85.18 -25.11 27.6 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.455 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.9 m -138.55 176.91 8.28 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.376 -0.827 . . . . 25.0 112.142 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -82.01 125.06 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 121.74 -0.6 . . . . 25.0 111.177 -170.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -110.91 101.64 10.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.351 -0.981 . . . . 25.0 108.351 171.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -71.19 169.86 14.22 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.65 -32.88 44.29 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 -177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -65.34 -38.94 91.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.542 0.687 . . . . 25.0 111.853 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -70.33 -38.81 74.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.009 -0.738 . . . . 25.0 109.009 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.69 -35.59 81.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.713 -0.676 . . . . 25.0 112.634 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -56.07 -26.43 49.4 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -64.35 -26.67 68.57 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -68.15 -21.25 64.92 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.283 0.563 . . . . 25.0 110.098 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.5 m -106.28 45.35 0.98 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.972 0.891 . . . . 25.0 109.673 -175.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 . . . . . 0 C--O 1.212 -0.887 0 CA-C-O 124.794 2.235 . . . . 25.0 111.858 -179.199 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.868 -0.587 . . . . 25.0 109.735 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 p -132.73 135.23 57.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 107.559 -1.274 . . . . 25.0 107.559 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -79.68 133.41 36.37 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 120.717 0.294 . . . . 25.0 110.505 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.11 154.64 23.9 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 174.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.7 m-70 -68.06 145.14 54.72 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 106.63 -1.619 . . . . 25.0 106.63 169.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 mt -132.79 116.01 16.02 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.64 0.257 . . . . 25.0 110.608 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 m -121.1 151.67 39.58 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.26 -134.94 41.11 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.076 -0.583 . . . . 25.0 114.099 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -59.43 -28.38 66.9 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 114.038 1.125 . . . . 25.0 114.038 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -62.48 -34.69 77.34 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.825 -0.547 . . . . 25.0 110.661 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.65 -43.44 80.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.62 -42.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.04 -0.527 . . . . 25.0 110.426 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -62.33 -36.25 81.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.007 0.432 . . . . 25.0 110.588 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.27 73.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.695 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.71 -32.64 74.2 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -60.16 -41.07 92.01 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.916 0.388 . . . . 25.0 110.262 176.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.4 mt -71.7 -45.15 62.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -72.62 -40.24 62.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.65 -172.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.0 m -94.88 -7.52 39.88 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.919 -177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.85 -155.97 51.94 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-O 122.592 1.107 . . . . 25.0 114.862 173.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -66.85 -6.3 15.76 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -66.21 -27.77 68.23 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.781 0.324 . . . . 25.0 111.435 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.36 -179.57 52.59 Favored Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 109.86 -1.296 . . . . 25.0 109.86 -174.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -166.91 179.21 5.38 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 106.456 -1.683 . . . . 25.0 106.456 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.66 163.48 24.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 94.3 t80 . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 107.791 -1.189 . . . . 25.0 107.791 179.518 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.221 -0.445 0 N-CA-C 110.394 -0.225 . . . . 25.0 110.394 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -65.76 -41.35 92.21 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.455 -0.778 . . . . 25.0 109.857 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.01 -40.51 85.16 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.141 0.275 . . . . 25.0 110.67 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -73.78 -37.44 64.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 177.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.5 m -70.65 -48.84 52.88 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.328 0.492 . . . . 25.0 112.328 -177.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -88.08 -23.14 23.8 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -173.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.445 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.8 t -140.33 -170.04 2.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.907 -0.496 . . . . 25.0 109.899 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.4 mm -97.53 108.58 21.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.3 p -91.86 142.87 27.09 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 173.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.8 p -84.92 169.08 14.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.703 0.287 . . . . 25.0 110.719 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -61.62 -28.03 69.07 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 120.881 0.372 . . . . 25.0 111.297 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -67.88 -38.55 83.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.264 0.554 . . . . 25.0 109.81 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.31 -36.72 77.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.104 -0.498 . . . . 25.0 110.123 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.13 -33.87 75.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.291 178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -61.12 -22.25 64.48 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 113.209 0.818 . . . . 25.0 113.209 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -65.18 -27.03 68.41 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.855 -0.528 . . . . 25.0 111.414 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -68.27 -17.5 64.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.035 0.445 . . . . 25.0 110.03 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.2 p -131.44 49.64 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 t30 . . . . . 0 C--O 1.209 -1.052 0 C-N-CA 126.702 2.001 . . . . 25.0 113.437 -179.38 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.6 t80 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.899 -0.572 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.32 129.22 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -71.79 130.31 40.77 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.685 0.755 . . . . 25.0 111.54 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -160.11 155.11 24.63 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 104.09 -2.559 . . . . 25.0 104.09 171.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.1 m-70 -66.41 141.57 57.89 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 106.431 -1.692 . . . . 25.0 106.431 170.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -129.31 111.93 13.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.987 0.422 . . . . 25.0 110.906 -174.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.39 157.61 44.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.42 -0.956 . . . . 25.0 108.42 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.38 -137.78 49.72 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.604 -0.808 . . . . 25.0 112.313 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.8 p -60.73 -29.32 69.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.92 -39.21 93.88 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.495 -0.753 . . . . 25.0 110.157 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.4 tp -66.92 -42.46 85.33 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.85 -45.53 98.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.509 -0.314 . . . . 25.0 110.946 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -68.59 -30.19 68.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.744 -0.597 . . . . 25.0 111.68 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.2 78.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.18 -33.71 76.66 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -57.0 -42.48 80.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.713 -0.395 . . . . 25.0 109.94 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.87 -44.26 64.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -75.2 -41.7 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 121.262 0.553 . . . . 25.0 111.407 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 83.6 m -78.72 -24.18 45.07 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.14 -141.7 47.47 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.708 -0.758 . . . . 25.0 112.485 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.1 -9.68 42.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -69.98 -26.05 63.91 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 122.108 -0.37 . . . . 25.0 111.046 178.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.78 179.31 49.7 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 109.471 -1.452 . . . . 25.0 109.471 -174.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -162.81 177.27 9.44 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -131.64 165.34 23.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.3 t80 . . . . . 0 C--N 1.321 -0.66 0 N-CA-C 105.573 -2.01 . . . . 25.0 105.573 176.082 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.218 -0.588 0 N-CA-C 110.793 -0.077 . . . . 25.0 110.793 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -65.56 -45.02 84.95 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.441 -0.787 . . . . 25.0 108.946 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -58.93 -40.15 83.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.123 0.264 . . . . 25.0 110.663 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 m -73.2 -33.65 65.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.0 m -75.3 -48.58 22.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -88.17 -16.68 32.71 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.558 0.947 . . . . 25.0 113.558 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -139.15 -178.41 5.34 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.9 mm -74.11 119.25 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 121.477 -0.764 . . . . 25.0 110.571 -167.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.491 ' HB3' HD23 ' B' ' 6' ' ' LEU . 10.7 t -90.12 74.78 7.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -63.61 164.83 8.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.523 -0.762 . . . . 25.0 109.581 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -52.99 -30.72 36.78 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -64.88 -39.61 93.82 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.017 0.437 . . . . 25.0 111.657 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -69.36 -41.43 76.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.56 -36.9 84.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.046 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.5 -29.84 66.57 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -67.08 -26.65 66.82 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.446 0.535 . . . . 25.0 112.446 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -73.74 -21.17 60.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.72 0.295 . . . . 25.0 110.296 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.4 m -75.83 102.77 5.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.701 0.763 . . . . 25.0 110.432 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.207 -1.164 0 CA-C-O 124.04 1.876 . . . . 25.0 112.405 178.707 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 119.105 -0.474 . . . . 25.0 109.813 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 66.5 t -113.82 123.51 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.18 130.03 41.84 Favored 'General case' 0 CA--C 1.503 -0.832 0 C-N-CA 120.764 -0.374 . . . . 25.0 110.741 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -160.37 156.23 25.86 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 105.109 -2.182 . . . . 25.0 105.109 174.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -75.57 140.76 42.88 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 170.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 11' ' ' CYS . 1.4 mm? -126.79 124.38 39.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.479 0.581 . . . . 25.0 110.32 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 t -144.86 159.64 42.57 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.62 -142.77 48.14 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 121.029 -0.605 . . . . 25.0 112.315 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -27.48 67.28 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.587 0.588 . . . . 25.0 112.587 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -66.32 -29.11 69.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.842 -0.536 . . . . 25.0 111.478 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 tp -67.82 -41.79 82.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.23 -40.07 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.346 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.67 -34.61 77.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.861 0.362 . . . . 25.0 111.038 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.05 -34.68 64.14 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.075 -0.342 . . . . 25.0 110.075 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.1 mt -65.61 -30.65 71.4 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.998 0.37 . . . . 25.0 111.998 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -60.36 -36.7 78.64 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.554 175.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.95 -43.45 65.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.55 -39.18 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.009 0.433 . . . . 25.0 111.829 -172.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -21.32 40.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 176.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.65 -159.49 50.56 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.53 -0.843 . . . . 25.0 111.535 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.16 -6.19 12.61 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.09 -25.1 66.86 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.824 0.345 . . . . 25.0 110.458 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.39 171.93 48.15 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 111.722 -0.551 . . . . 25.0 111.722 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -164.16 176.67 9.02 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -136.18 163.36 30.55 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 106.739 -1.578 . . . . 25.0 106.739 179.353 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.219 -0.519 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -65.23 -38.46 90.46 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.954 -0.298 . . . . 25.0 110.478 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -59.44 -36.18 75.43 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.376 0.139 . . . . 25.0 111.376 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.1 m -81.61 -35.15 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.67 -52.17 11.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.567 0.951 . . . . 25.0 113.567 -174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -87.83 -21.07 25.26 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.469 0.652 . . . . 25.0 111.757 -173.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.429 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 29.2 p -140.04 -170.68 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mm -96.48 134.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 106.908 -1.516 . . . . 25.0 106.908 -175.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -118.79 145.38 45.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.976 -1.49 . . . . 25.0 106.976 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.8 t -85.35 166.05 16.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.302 -0.408 . . . . 25.0 110.613 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.03 -27.87 63.95 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -65.34 -36.14 83.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.558 0.694 . . . . 25.0 110.682 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -72.36 -36.57 68.81 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.99 -0.745 . . . . 25.0 108.99 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.58 -36.86 84.05 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.207 -0.308 . . . . 25.0 110.563 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.76 -20.32 63.43 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 175.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -27.09 65.53 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.596 -0.69 . . . . 25.0 110.728 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -74.21 -8.69 57.09 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.015 0.436 . . . . 25.0 111.213 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -77.1 155.96 32.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.519 0.675 . . . . 25.0 109.274 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 C--O 1.213 -0.83 0 CA-C-O 123.513 1.625 . . . . 25.0 111.33 176.626 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.8 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.993 -0.527 . . . . 25.0 109.701 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.48 116.25 43.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.03 127.43 32.54 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 120.41 -0.516 . . . . 25.0 110.472 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -159.0 151.52 21.62 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 104.222 -2.51 . . . . 25.0 104.222 173.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 66.7 m-70 -68.11 140.23 56.2 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 106.638 -1.615 . . . . 25.0 106.638 170.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.5 mt -126.95 106.6 9.41 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.009 0.523 . . . . 25.0 109.958 -174.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.27 160.28 40.32 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.237 -1.023 . . . . 25.0 108.237 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.56 -138.18 48.48 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.591 -0.814 . . . . 25.0 111.657 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 33.0 p -61.38 -30.32 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.04 -38.16 87.66 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.69 -0.631 . . . . 25.0 110.051 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.17 -45.98 75.34 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.17 -0.308 . . . . 25.0 110.17 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.07 -42.22 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.846 0.355 . . . . 25.0 111.088 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -67.74 -29.35 68.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.661 -0.649 . . . . 25.0 111.342 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.91 76.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.16 -34.22 77.86 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.635 0.235 . . . . 25.0 111.635 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.2 -39.36 86.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 120.964 -0.295 . . . . 25.0 110.208 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.1 mt -71.93 -45.75 60.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.28 -41.1 57.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.221 0.534 . . . . 25.0 111.319 -173.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -22.76 33.42 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.623 -0.831 . . . . 25.0 110.677 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.17 -148.53 50.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.194 -1.003 . . . . 25.0 111.089 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.63 -6.58 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.68 -26.39 67.01 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.003 0.371 . . . . 25.0 112.003 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.24 157.94 24.88 Favored Glycine 0 C--O 1.225 -0.421 0 C-N-CA 121.117 -0.564 . . . . 25.0 111.972 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -151.35 176.83 10.87 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 -176.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -131.87 159.83 37.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.9 t80 . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 106.872 -1.529 . . . . 25.0 106.872 177.585 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 121.792 0.806 . . . . 25.0 110.551 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.05 -33.45 76.06 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.804 -0.635 . . . . 25.0 109.99 -176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -59.8 -40.85 89.76 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 120.631 -0.427 . . . . 25.0 110.707 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.3 m -77.78 -22.14 50.63 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.4 m -86.83 -32.81 20.09 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.747 -0.381 . . . . 25.0 111.925 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -88.16 -35.83 17.18 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.521 0.563 . . . . 25.0 112.521 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -135.71 166.86 22.29 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 mm -81.48 118.12 28.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 119.772 -0.771 . . . . 25.0 109.549 -176.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -87.33 132.12 34.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p -81.34 171.1 15.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.87 -30.0 67.4 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -69.52 -37.2 77.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.207 0.527 . . . . 25.0 110.192 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -70.92 -39.73 72.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 mt -62.77 -31.98 73.05 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.77 -30.92 64.1 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.671 0.669 . . . . 25.0 111.231 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -68.31 -27.96 66.74 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.097 0.406 . . . . 25.0 112.097 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -70.75 -21.65 62.5 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 110.132 -0.321 . . . . 25.0 110.132 -177.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.6 p -121.97 25.39 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.771 0.796 . . . . 25.0 110.943 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 C--O 1.209 -1.079 0 CA-C-O 124.024 1.868 . . . . 25.0 113.084 -178.386 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 119.052 -0.499 . . . . 25.0 109.692 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -138.38 143.51 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 106.19 -1.782 . . . . 25.0 106.19 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -81.28 127.29 32.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.422 0.63 . . . . 25.0 110.77 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -160.06 140.8 12.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 104.845 -2.28 . . . . 25.0 104.845 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -70.39 132.76 46.12 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.692 -0.403 . . . . 25.0 110.84 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 mt -135.08 129.54 34.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -138.15 162.22 34.79 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.16 -138.06 45.72 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.462 -0.875 . . . . 25.0 111.743 178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.4 p -60.41 -28.45 68.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -68.94 -30.69 69.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.514 -0.741 . . . . 25.0 110.793 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.52 -34.51 65.27 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.28 -40.38 87.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.907 -0.775 . . . . 25.0 108.907 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -68.13 -25.89 65.51 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.912 -0.493 . . . . 25.0 111.917 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -43.68 79.55 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.55 -31.44 72.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.082 -0.508 . . . . 25.0 112.151 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -55.68 -44.53 77.4 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 174.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.86 -43.14 65.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.25 -43.92 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -172.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -18.42 32.26 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.077 -0.649 . . . . 25.0 109.758 177.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.96 -157.56 53.38 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.436 -0.887 . . . . 25.0 113.473 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -65.04 -6.58 9.09 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 116.215 1.932 . . . . 25.0 116.215 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -71.84 -13.29 61.64 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.112 0.869 . . . . 25.0 111.444 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.28 171.34 44.17 Favored Glycine 0 C--O 1.228 -0.276 0 N-CA-C 109.105 -1.598 . . . . 25.0 109.105 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -164.37 174.34 11.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -130.38 164.98 23.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.04 -1.467 . . . . 25.0 107.04 176.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.3 t80 . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -178.572 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -63.77 -32.51 74.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.882 -0.512 . . . . 25.0 111.627 -175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -57.95 -39.99 79.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.804 0.335 . . . . 25.0 110.581 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.7 m -90.43 -21.18 22.04 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.369 -0.533 . . . . 25.0 111.821 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -71.25 -44.51 65.14 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.9 -0.407 . . . . 25.0 109.9 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -88.09 -19.09 27.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.16 1.171 . . . . 25.0 114.16 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -142.75 -178.67 5.91 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.724 -0.61 . . . . 25.0 112.332 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -84.99 127.9 39.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 -172.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.0 m -112.05 105.46 13.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.221 0.534 . . . . 25.0 110.124 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -67.05 165.75 15.13 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -54.24 -31.69 54.04 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -66.06 -38.54 88.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.44 0.638 . . . . 25.0 111.636 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -70.11 -37.35 75.33 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.44 -32.22 73.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.364 -0.835 . . . . 25.0 111.979 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -59.24 -18.97 41.78 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -66.92 -28.21 68.11 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.784 -0.572 . . . . 25.0 111.616 175.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.43 ' HB2' HD21 ' B' ' 15' ' ' LEU . 61.8 m-85 -88.18 -1.58 58.1 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.275 0.63 . . . . 25.0 110.384 -177.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -86.46 152.46 22.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -169.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 t30 . . . . . 0 C--O 1.217 -0.611 0 CA-C-O 124.077 1.894 . . . . 25.0 111.039 173.609 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.883 -0.58 . . . . 25.0 109.594 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 83.5 t -124.18 129.03 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -76.18 126.39 30.9 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 120.225 -0.59 . . . . 25.0 110.777 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -160.19 152.67 20.91 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 104.355 -2.461 . . . . 25.0 104.355 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -67.27 140.96 57.37 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.011 -1.478 . . . . 25.0 107.011 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.92 105.83 12.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.214 0.53 . . . . 25.0 110.041 -176.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.52 152.08 46.65 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.39 -135.23 47.91 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.413 -0.899 . . . . 25.0 111.837 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.4 p -60.53 -29.99 69.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -63.2 -35.61 80.88 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.74 -0.6 . . . . 25.0 110.983 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.8 tp -68.0 -47.77 67.59 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.384 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m -69.37 -34.01 60.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 120.075 -0.65 . . . . 25.0 111.008 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -64.71 -41.29 96.11 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.963 -0.461 . . . . 25.0 110.674 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.87 91.19 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' A' ' 19' ' ' TYR . 27.5 mt -66.12 -32.3 73.67 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -59.92 -37.43 79.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.78 -44.41 64.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.675 0.62 . . . . 25.0 112.675 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -68.42 -40.24 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.415 0.626 . . . . 25.0 110.635 -174.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.4 m -89.09 -23.85 22.41 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.67 -142.18 48.08 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.583 -1.407 . . . . 25.0 109.583 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -70.18 -6.33 33.63 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.576 1.324 . . . . 25.0 114.576 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.03 -25.12 64.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.69 -0.631 . . . . 25.0 111.92 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.94 177.38 50.58 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.186 -0.766 . . . . 25.0 111.186 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -156.92 -179.64 8.4 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.509 -1.663 . . . . 25.0 106.509 -176.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -130.13 168.23 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.587 0.708 . . . . 25.0 110.224 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 C--N 1.321 -0.645 0 N-CA-C 105.655 -1.98 . . . . 25.0 105.655 -179.054 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.223 -0.322 0 CA-C-O 120.226 0.06 . . . . 25.0 110.845 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -65.87 -44.81 84.28 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.447 -0.783 . . . . 25.0 109.766 177.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -59.67 -40.21 87.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.815 0.34 . . . . 25.0 110.563 -177.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.6 m -77.73 -20.71 53.04 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.6 t -87.17 -44.38 11.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.799 0.333 . . . . 25.0 111.115 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -84.86 -14.94 46.38 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -176.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -142.56 -178.21 5.66 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 122.03 -0.418 . . . . 25.0 109.948 177.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -74.29 120.91 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.561 0.696 . . . . 25.0 110.716 -169.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -94.45 102.39 14.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 178.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.6 p -78.93 166.29 22.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.92 -28.96 68.04 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.832 0.348 . . . . 25.0 111.451 179.118 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -67.38 -37.76 83.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.432 0.634 . . . . 25.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.17 -37.76 78.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.433 -0.581 . . . . 25.0 109.433 177.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.09 -37.02 83.45 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.38 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.91 -29.74 63.31 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.543 0.571 . . . . 25.0 112.543 178.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.13 -26.84 68.36 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.421 0.897 . . . . 25.0 113.421 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -74.2 -7.12 51.57 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.116 0.484 . . . . 25.0 111.411 -178.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.9 m -106.88 135.41 48.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.729 0.776 . . . . 25.0 110.081 -173.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 t30 . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 124.566 2.127 . . . . 25.0 112.005 -178.378 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.63 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.49 130.24 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -67.95 129.41 39.82 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.138 0.494 . . . . 25.0 111.318 178.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -159.72 155.53 26.14 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 104.86 -2.274 . . . . 25.0 104.86 171.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -69.07 143.22 54.3 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 168.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.09 108.22 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.98 0.419 . . . . 25.0 111.272 -177.116 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.3 m -122.23 150.76 41.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.74 -134.39 51.75 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 120.921 -0.657 . . . . 25.0 112.802 176.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -58.35 -31.03 67.22 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -59.86 -36.07 76.11 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.751 0.705 . . . . 25.0 110.636 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.4 tp -68.0 -45.21 74.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.987 0.423 . . . . 25.0 110.112 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -64.82 -43.14 96.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.187 -178.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.34 -34.29 77.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.892 0.377 . . . . 25.0 110.675 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.9 -34.18 66.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.779 0.323 . . . . 25.0 110.323 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.26 -34.16 77.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.825 0.306 . . . . 25.0 111.825 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -61.46 -35.81 78.67 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.946 -0.302 . . . . 25.0 110.365 176.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.88 -48.03 48.64 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 178.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.42 -42.12 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.51 -171.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -97.44 -8.19 29.94 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.624 -0.43 . . . . 25.0 112.078 -178.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.1 -154.56 51.37 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.212 -0.994 . . . . 25.0 113.213 175.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -68.27 -6.51 24.3 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.552 0.945 . . . . 25.0 113.552 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -67.48 -21.94 65.5 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 122.232 -0.293 . . . . 25.0 111.27 179.257 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.63 179.33 50.34 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.932 -0.652 . . . . 25.0 112.51 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -165.83 -177.7 4.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 -175.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -132.3 161.31 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 174.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.0 t80 . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 -178.492 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.218 -0.557 0 N-CA-C 110.765 -0.087 . . . . 25.0 110.765 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -68.73 -44.83 72.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.118 -0.697 . . . . 25.0 109.118 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.14 -39.44 82.39 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 123.062 0.226 . . . . 25.0 111.369 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.5 m -75.98 -36.74 59.12 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.2 m -75.39 -51.14 13.81 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 -177.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -87.95 -19.82 26.75 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.399 0.889 . . . . 25.0 113.399 -174.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -136.61 -175.29 3.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 -176.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -71.32 120.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 121.393 -0.817 . . . . 25.0 111.981 -166.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 t -94.34 90.52 6.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.911 -1.04 . . . . 25.0 108.21 178.02 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.8 p -77.54 165.95 23.68 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 -179.151 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.07 -28.98 66.98 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 111.906 0.336 . . . . 25.0 111.906 179.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.79 -37.82 82.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.335 0.588 . . . . 25.0 110.927 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.37 -40.44 81.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.642 -0.873 . . . . 25.0 108.642 177.255 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.2 -36.94 83.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.951 -0.568 . . . . 25.0 112.226 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.39 -30.98 67.23 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 178.302 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.85 -26.82 66.23 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -177.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -72.27 -6.79 45.55 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.085 0.469 . . . . 25.0 110.903 179.504 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.7 m -110.47 40.16 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.01 0.909 . . . . 25.0 110.378 -175.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 C--O 1.213 -0.845 0 CA-C-O 123.428 1.585 . . . . 25.0 111.204 -179.484 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.059 -0.349 . . . . 25.0 110.059 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.6 t -95.82 112.42 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -64.7 134.75 54.87 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 178.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -159.91 159.71 32.69 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 105.326 -2.101 . . . . 25.0 105.326 175.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -68.24 137.64 54.92 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 170.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.3 mt -135.66 121.86 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.922 0.392 . . . . 25.0 111.08 -175.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -144.58 164.24 31.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.04 -143.88 48.62 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.821 -0.704 . . . . 25.0 112.311 178.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -27.72 68.72 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -63.47 -36.04 82.44 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 122.089 -0.382 . . . . 25.0 110.449 178.133 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.8 tp -67.15 -43.08 83.22 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 178.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.89 -42.63 96.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.919 -179.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -63.77 -34.66 78.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.03 0.443 . . . . 25.0 110.935 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.68 -36.37 73.28 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.789 -0.364 . . . . 25.0 110.474 179.422 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.98 -35.93 82.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.564 -0.289 . . . . 25.0 111.674 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -59.03 -38.36 79.12 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 110.139 -0.319 . . . . 25.0 110.139 176.576 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.8 mt -71.77 -48.43 46.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.791 1.034 . . . . 25.0 113.791 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.64 -40.8 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.231 0.538 . . . . 25.0 110.936 -171.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -99.93 -10.89 21.16 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.824 0.676 . . . . 25.0 112.824 -175.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.25 -140.95 38.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.04 -1.076 . . . . 25.0 113.748 176.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -7.27 36.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 116.595 2.072 . . . . 25.0 116.595 -176.455 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -75.21 -15.21 60.56 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 119.02 0.827 . . . . 25.0 111.576 -177.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.24 176.97 51.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.192 -0.528 . . . . 25.0 112.459 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -167.57 179.25 4.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.06 -2.2 . . . . 25.0 105.06 -177.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -128.76 162.42 27.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.453 0.644 . . . . 25.0 110.202 174.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 105.51 -2.033 . . . . 25.0 105.51 179.691 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 120.544 0.211 . . . . 25.0 110.738 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -65.62 -42.57 91.4 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 121.797 -0.564 . . . . 25.0 109.706 177.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -57.76 -45.1 86.37 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 110.19 -0.3 . . . . 25.0 110.19 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 m -75.14 -28.18 60.07 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.61 -0.436 . . . . 25.0 111.945 -176.663 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -73.87 -53.35 10.39 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.031 -0.268 . . . . 25.0 111.65 178.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -88.1 -16.58 33.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -172.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.433 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.7 t -141.95 -168.31 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 178.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.39 116.22 50.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 O-C-N 121.73 -0.606 . . . . 25.0 109.579 -176.033 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.9 m -75.75 130.98 39.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 173.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.7 p -74.09 166.6 23.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.864 -1.532 . . . . 25.0 106.864 174.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.81 -31.83 68.81 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 120.849 -0.341 . . . . 25.0 111.284 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -65.16 -38.46 90.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.428 0.632 . . . . 25.0 111.5 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -69.49 -39.48 77.62 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.6 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.38 -35.47 80.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.327 0.491 . . . . 25.0 112.327 179.222 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -55.22 -30.23 59.59 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 177.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -62.66 -26.87 68.86 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 -179.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -62.85 -22.66 66.84 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 122.26 -0.275 . . . . 25.0 110.787 178.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.6 p -130.93 44.74 2.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.073 0.94 . . . . 25.0 109.402 175.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 C--O 1.21 -0.975 0 CA-C-O 124.051 1.882 . . . . 25.0 112.26 -179.078 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.76 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.99 123.64 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.26 126.84 31.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 120.266 -0.574 . . . . 25.0 110.344 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -160.18 149.78 17.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 174.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.4 m-70 -72.67 141.56 48.26 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 173.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.3 mt -130.27 105.35 7.85 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.629 0.371 . . . . 25.0 110.702 -172.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 t -133.33 -17.46 2.33 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.01 1.485 . . . . 25.0 115.01 -177.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.76 -137.3 6.36 Favored Glycine 0 C--O 1.229 -0.192 0 N-CA-C 110.092 -1.203 . . . . 25.0 110.092 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.2 p -55.95 -26.9 50.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.986 0.422 . . . . 25.0 111.719 176.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -55.61 -36.25 66.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 177.074 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.4 tp -67.98 -40.13 83.19 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.593 -0.521 . . . . 25.0 109.593 -177.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.1 t -67.25 -42.97 88.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.229 0.538 . . . . 25.0 110.106 177.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.73 -34.86 78.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.456 . . . . 25.0 110.674 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.93 74.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.502 -0.317 . . . . 25.0 110.315 179.558 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -65.2 -29.69 70.53 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -178.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -58.5 -42.41 87.59 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.068 0.461 . . . . 25.0 110.175 174.649 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.4 mt -71.99 -44.07 64.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.063 0.458 . . . . 25.0 112.161 -178.083 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -75.4 -41.46 42.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.82 -172.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -16.45 47.11 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.439 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.82 -158.59 53.72 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-O 121.939 0.744 . . . . 25.0 113.249 177.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.99 -6.41 16.75 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -178.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -65.66 -24.71 67.09 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.708 0.289 . . . . 25.0 111.516 178.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.38 174.52 50.39 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 108.725 -1.75 . . . . 25.0 108.725 -174.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -163.05 177.26 9.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 -176.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -131.14 160.65 34.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 173.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 t80 . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 178.94 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.218 -0.602 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -65.23 -40.5 94.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.364 -0.21 . . . . 25.0 111.102 179.383 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -60.9 -43.67 98.19 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 120.483 -0.487 . . . . 25.0 110.012 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 m -73.23 -29.88 63.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.2 t -70.11 -51.13 34.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.835 0.35 . . . . 25.0 110.589 -178.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 t -87.97 -22.69 24.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 -174.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.48 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.7 t -137.62 -176.99 4.6 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.512 -0.742 . . . . 25.0 110.858 -178.437 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -70.55 122.05 21.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 122.073 0.939 . . . . 25.0 112.103 -166.03 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -94.91 86.17 4.59 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 177.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.8 p -73.99 171.58 13.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.676 -0.693 . . . . 25.0 109.215 -179.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.45 -27.84 66.44 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 122.315 -0.241 . . . . 25.0 111.245 178.057 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -71.28 -38.31 71.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.091 0.472 . . . . 25.0 110.46 179.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -67.0 -39.83 87.21 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 177.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.64 -36.99 85.3 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.897 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.15 -31.43 68.96 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.095 -0.378 . . . . 25.0 111.906 177.12 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -66.02 -26.83 67.71 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.578 0.584 . . . . 25.0 112.578 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.1 -26.35 63.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.897 0.379 . . . . 25.0 110.21 177.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -73.64 135.7 43.81 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--O 1.207 -1.143 0 CA-C-O 123.914 1.816 . . . . 25.0 112.501 -179.925 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 119.001 -0.524 . . . . 25.0 109.774 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -132.67 143.55 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 106.703 -1.591 . . . . 25.0 106.703 -178.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -64.36 137.73 58.05 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.278 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -160.05 140.0 11.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.43 -0.805 . . . . 25.0 109.802 176.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.7 m-70 -74.29 141.09 45.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.272 -1.751 . . . . 25.0 106.272 166.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -138.44 119.37 14.31 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 117.986 0.357 . . . . 25.0 110.105 -177.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -131.49 -57.05 1.01 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -176.359 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.74 -143.35 4.78 Favored Glycine 0 C--O 1.224 -0.512 0 C-N-CA 121.336 -0.459 . . . . 25.0 112.234 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -26.26 8.03 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.314 1.227 . . . . 25.0 114.314 179.322 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -56.46 -36.38 68.99 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 175.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.57 -42.18 82.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.182 0.515 . . . . 25.0 110.186 -178.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.95 -42.62 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.369 179.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.45 -32.69 74.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.02 0.438 . . . . 25.0 111.321 -179.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.57 -34.52 65.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.876 0.369 . . . . 25.0 110.25 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.49 -30.7 71.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -59.24 -39.82 84.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.948 0.404 . . . . 25.0 110.15 175.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.0 mt -71.9 -44.62 63.42 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.05 -39.92 21.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.894 0.378 . . . . 25.0 111.364 -172.444 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -22.64 47.63 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.81 -0.756 . . . . 25.0 109.447 177.44 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.72 -148.43 50.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.345 -0.931 . . . . 25.0 111.83 179.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.28 -6.44 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -178.595 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -66.34 -26.85 67.48 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.016 -0.428 . . . . 25.0 111.407 178.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.83 168.4 39.25 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 109.127 -1.589 . . . . 25.0 109.127 -174.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -157.63 176.7 12.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -177.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -130.96 162.62 29.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 175.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.3 t80 . . . . . 0 C--N 1.321 -0.647 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 177.437 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -65.55 -36.51 84.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.287 -0.415 . . . . 25.0 110.112 179.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.84 -45.16 93.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.824 0.345 . . . . 25.0 110.659 179.297 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -79.91 -12.65 59.72 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.294 0.479 . . . . 25.0 112.294 -179.493 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -86.98 -42.68 12.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 25.0 110.032 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -83.94 -26.59 29.16 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 -177.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.447 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 12.2 t -136.38 179.01 6.62 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 107.299 -1.371 . . . . 25.0 107.299 177.557 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.77 114.94 36.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 118.881 0.764 . . . . 25.0 109.117 -176.221 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.1 m -75.93 118.05 18.31 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.663 -1.606 . . . . 25.0 106.663 171.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.3 p -71.77 170.74 12.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.351 -1.352 . . . . 25.0 107.351 176.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.07 -30.05 63.98 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -179.625 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -69.02 -37.99 78.96 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 121.27 0.557 . . . . 25.0 111.173 179.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -72.37 -38.47 68.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.001 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.13 -32.41 73.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.929 -0.578 . . . . 25.0 112.067 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -56.03 -27.09 51.73 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 176.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.54 -26.76 68.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -69.61 -18.18 63.59 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.63 0.253 . . . . 25.0 111.226 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.4 p -134.75 40.39 2.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.224 1.012 . . . . 25.0 109.727 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 . . . . . 0 C--O 1.208 -1.079 0 CA-C-O 124.001 1.858 . . . . 25.0 112.454 178.631 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.7 t80 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 119.058 -0.496 . . . . 25.0 109.747 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.16 128.75 71.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 179.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -71.54 127.74 33.57 Favored 'General case' 0 CA--C 1.506 -0.735 0 C-N-CA 120.106 -0.637 . . . . 25.0 109.848 -179.445 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -158.64 151.42 22.19 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 103.075 -2.935 . . . . 25.0 103.075 173.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.8 m-70 -66.77 142.91 57.21 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 175.085 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.05 112.98 21.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.999 0.428 . . . . 25.0 110.078 -176.639 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.42 151.01 50.92 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 179.342 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.54 -139.95 48.27 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.689 -0.767 . . . . 25.0 112.271 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -26.44 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -61.71 -30.07 70.52 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.84 -0.538 . . . . 25.0 111.008 178.718 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.53 -41.56 72.39 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-O 120.867 0.365 . . . . 25.0 110.253 178.215 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.6 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.43 0.633 . . . . 25.0 109.83 178.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -63.66 -35.97 82.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.086 -0.506 . . . . 25.0 111.024 179.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.76 -38.71 73.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.961 0.41 . . . . 25.0 110.27 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.59 -31.69 73.02 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -178.098 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.93 -41.69 83.28 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.712 -0.395 . . . . 25.0 110.705 176.348 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.95 -43.01 65.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.55 -43.2 48.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.89 0.376 . . . . 25.0 111.476 -173.3 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -80.97 -20.22 42.39 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.199 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.95 -152.4 51.87 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.557 -0.83 . . . . 25.0 112.426 178.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -68.07 -6.15 21.26 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.036 1.125 . . . . 25.0 114.036 -178.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -68.72 -25.9 64.99 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.782 0.325 . . . . 25.0 110.534 177.293 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.33 179.68 52.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 110.587 -1.005 . . . . 25.0 110.587 -176.377 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -164.57 177.53 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 -178.102 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -128.42 160.15 33.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 176.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.4 t80 . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 179.222 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.219 -0.502 0 N-CA-C 110.664 -0.125 . . . . 25.0 110.664 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -67.28 -46.01 74.89 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 176.609 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -59.59 -39.98 85.94 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.708 -179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.1 m -72.92 -28.55 62.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.542 0.941 . . . . 25.0 113.542 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.04 -48.04 11.89 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -86.01 -19.39 30.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -174.7 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -141.67 -176.29 4.7 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 178.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.82 122.17 19.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.819 0.819 . . . . 25.0 111.88 -167.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -91.65 85.76 5.78 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 106.996 -1.483 . . . . 25.0 106.996 176.004 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -72.48 167.69 20.07 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.001 -0.741 . . . . 25.0 109.001 -178.329 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.49 -29.4 67.81 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 121.107 -0.237 . . . . 25.0 111.512 179.338 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -67.68 -38.97 84.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.341 0.591 . . . . 25.0 110.971 179.057 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -66.17 -40.21 90.33 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 176.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -64.77 -37.03 86.22 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.36 -34.73 70.98 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.93 -0.481 . . . . 25.0 111.813 177.429 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -64.79 -26.89 68.54 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -178.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -68.07 -25.21 65.23 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.971 -0.455 . . . . 25.0 110.46 178.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.2 m -82.54 109.3 16.62 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 178.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.206 -1.189 0 CA-C-O 123.998 1.856 . . . . 25.0 113.4 -179.29 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 91.6 t80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 119.03 -0.509 . . . . 25.0 110.027 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.53 120.48 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -64.53 134.75 55.07 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 120.789 0.328 . . . . 25.0 111.134 -179.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.12 158.52 30.42 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 105.402 -2.073 . . . . 25.0 105.402 175.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -69.43 142.62 53.8 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 105.896 -1.89 . . . . 25.0 105.896 168.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.8 mt -136.53 127.56 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 -174.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -138.03 164.11 29.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 176.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.13 -140.96 38.25 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 114.457 0.543 . . . . 25.0 114.457 173.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -29.17 68.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -64.52 -35.44 80.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.152 -0.343 . . . . 25.0 111.006 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.15 -41.7 90.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.486 -0.561 . . . . 25.0 109.486 178.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.06 -40.79 86.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.207 -0.451 . . . . 25.0 110.986 179.08 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -61.41 -35.31 77.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.138 0.494 . . . . 25.0 110.513 178.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -34.03 65.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.907 -179.228 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.42 -34.08 77.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.425 -0.172 . . . . 25.0 111.279 179.431 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -59.68 -38.05 80.47 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 120.653 0.263 . . . . 25.0 110.441 175.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.97 -44.0 64.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -179.383 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.5 -42.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.797 -171.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.64 -11.99 40.94 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.956 -0.698 . . . . 25.0 110.817 179.039 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.93 -148.05 46.14 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-O 122.532 1.074 . . . . 25.0 113.788 175.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -15.02 61.85 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 116.084 1.883 . . . . 25.0 116.084 -176.784 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -73.3 -14.9 61.39 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.293 0.497 . . . . 25.0 111.569 -177.321 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.22 178.51 52.42 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-O 121.651 0.584 . . . . 25.0 112.952 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -166.41 178.39 6.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 103.702 -2.703 . . . . 25.0 103.702 -177.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -134.7 162.49 32.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 170.708 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 C--N 1.321 -0.646 0 N-CA-C 106.133 -1.803 . . . . 25.0 106.133 179.078 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.219 -0.501 0 N-CA-C 110.089 -0.338 . . . . 25.0 110.089 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -65.44 -43.3 90.86 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.734 -0.604 . . . . 25.0 109.38 177.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -57.05 -46.78 82.18 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.264 0.353 . . . . 25.0 110.221 179.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.2 m -72.43 -33.46 67.12 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -177.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.5 m -73.04 -53.42 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 t -87.92 -16.19 34.55 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -172.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -144.79 -175.54 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.93 -0.481 . . . . 25.0 109.731 -178.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mm -68.23 121.52 17.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.807 0.813 . . . . 25.0 111.787 -167.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.58 150.02 20.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 104.835 -2.283 . . . . 25.0 104.835 173.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -141.97 167.38 22.28 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 179.417 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.84 -33.45 66.78 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 112.244 0.461 . . . . 25.0 112.244 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -66.22 -40.22 90.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.173 0.511 . . . . 25.0 111.082 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -69.98 -39.52 75.91 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 178.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.6 mt -60.89 -37.03 80.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.213 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.77 -35.3 68.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 177.036 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -65.55 -26.9 68.09 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.435 0.902 . . . . 25.0 113.435 -177.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -68.95 -20.96 64.21 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.141 -0.349 . . . . 25.0 110.96 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.6 m -82.31 152.22 26.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 -179.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 t30 . . . . . 0 C--O 1.213 -0.864 0 CA-C-O 124.509 2.1 . . . . 25.0 111.75 178.282 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.9 t80 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 72.4 t -128.23 131.14 69.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 105.802 -1.925 . . . . 25.0 105.802 179.123 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -89.45 141.21 28.77 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -177.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.39 164.53 32.31 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 104.479 -2.415 . . . . 25.0 104.479 170.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -61.1 125.91 25.43 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.811 -1.086 . . . . 25.0 110.275 176.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.52 120.78 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 123.736 0.815 . . . . 25.0 111.194 -177.1 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -142.85 158.85 43.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 177.65 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.86 -139.14 46.44 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.009 178.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -60.43 -28.64 68.44 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.868 0.692 . . . . 25.0 112.868 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -62.84 -36.63 83.86 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.661 -0.649 . . . . 25.0 110.623 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.26 -41.86 84.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 -179.423 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.72 -44.78 98.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.039 -0.528 . . . . 25.0 110.986 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -67.91 -28.25 67.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.689 -0.632 . . . . 25.0 111.814 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.59 -38.52 70.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 177.131 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.56 -35.28 80.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.476 -0.329 . . . . 25.0 111.828 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -57.01 -41.64 78.85 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 110.356 -0.239 . . . . 25.0 110.356 176.009 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.01 -43.87 64.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -179.064 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -73.96 -41.8 52.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.002 0.429 . . . . 25.0 111.534 -173.312 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -16.88 33.88 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.733 -0.787 . . . . 25.0 111.32 179.382 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.81 -147.07 50.27 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.404 -0.903 . . . . 25.0 112.973 176.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.3 mp0 -68.27 -8.01 35.73 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -177.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -70.94 -22.66 62.19 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.603 0.239 . . . . 25.0 110.598 178.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.24 176.7 51.14 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.287 -0.725 . . . . 25.0 111.287 -177.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -162.3 178.86 8.32 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 -177.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -136.27 164.63 27.64 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.68 -1.23 . . . . 25.0 107.68 174.332 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.3 t80 . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 105.232 -2.136 . . . . 25.0 105.232 177.089 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.225 -0.23 0 CA-C-O 120.55 0.214 . . . . 25.0 110.6 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -63.55 -44.84 93.02 Favored 'General case' 0 CA--C 1.51 -0.572 0 O-C-N 121.971 -0.456 . . . . 25.0 110.831 179.152 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -59.32 -39.56 83.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.149 0.281 . . . . 25.0 110.895 -175.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.8 m -80.03 -29.18 39.27 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.956 0.354 . . . . 25.0 111.956 -178.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.1 t -71.95 -48.43 45.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.911 0.386 . . . . 25.0 110.281 -179.267 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -88.06 -19.6 26.89 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 114.348 1.24 . . . . 25.0 114.348 -176.015 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.2 t -141.51 -174.75 4.13 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 121.751 -0.593 . . . . 25.0 110.942 -177.799 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.65 117.15 32.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 121.669 -0.644 . . . . 25.0 110.908 -170.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 m -98.76 108.06 20.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 172.509 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -73.35 168.65 18.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 174.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -52.85 -30.42 33.58 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 113.737 1.014 . . . . 25.0 113.737 -177.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.38 -38.54 90.34 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.225 0.536 . . . . 25.0 111.755 -179.492 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -74.58 -38.37 62.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.609 0.719 . . . . 25.0 109.464 178.313 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.28 -34.91 79.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.377 -0.828 . . . . 25.0 112.5 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -53.11 -28.76 27.06 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.202 0.815 . . . . 25.0 113.202 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -61.57 -26.92 68.26 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -71.88 -6.63 43.18 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.287 0.565 . . . . 25.0 111.051 179.042 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 m -110.55 140.76 44.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.883 -1.155 . . . . 25.0 107.883 -177.802 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 114.39 1.256 . . . . 25.0 114.39 -175.699 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.3 t80 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 119.019 -0.515 . . . . 25.0 109.781 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.72 121.92 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -73.49 130.25 39.69 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.171 0.51 . . . . 25.0 110.593 -178.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -160.08 151.98 20.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 104.672 -2.344 . . . . 25.0 104.672 174.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.2 m-70 -72.74 143.86 47.84 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.747 -1.575 . . . . 25.0 106.747 168.316 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.09 111.41 17.42 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.624 0.37 . . . . 25.0 110.99 -177.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.21 153.35 42.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 178.207 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.34 -143.24 48.54 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.558 -0.829 . . . . 25.0 111.719 -179.398 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.6 t -59.8 -29.15 68.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.639 0.607 . . . . 25.0 112.639 179.487 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -36.65 75.96 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.625 -0.672 . . . . 25.0 110.762 178.373 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp -68.17 -44.08 76.77 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.54 -44.92 99.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.121 0.486 . . . . 25.0 110.822 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -67.46 -30.76 70.57 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.174 -0.329 . . . . 25.0 111.673 -178.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.35 79.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.923 -0.486 . . . . 25.0 110.028 178.01 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.09 -31.78 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.49 0.552 . . . . 25.0 112.49 -177.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -59.21 -41.17 87.95 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 174.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.0 mt -71.8 -44.92 63.14 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.3 -44.83 77.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.813 -0.63 . . . . 25.0 112.367 -171.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 94.8 m -94.9 -8.79 36.15 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.568 -0.453 . . . . 25.0 111.214 -178.155 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.86 -145.18 45.98 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-O 122.395 0.997 . . . . 25.0 113.661 174.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -68.96 -6.94 30.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -175.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -74.84 -15.38 60.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.276 0.944 . . . . 25.0 111.542 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.87 175.9 51.04 Favored Glycine 0 CA--C 1.517 0.172 0 N-CA-C 111.634 -0.587 . . . . 25.0 111.634 -177.133 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -164.62 176.52 8.82 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 -177.607 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -132.96 168.97 17.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 173.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--N 1.32 -0.691 0 N-CA-C 107.499 -1.296 . . . . 25.0 107.499 178.396 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 120.992 0.425 . . . . 25.0 110.052 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -65.78 -43.2 89.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.778 -0.453 . . . . 25.0 109.778 178.41 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.01 -41.23 97.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.373 -0.376 . . . . 25.0 110.501 -179.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.5 m -72.68 -28.06 62.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.477 0.547 . . . . 25.0 112.477 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -72.08 -45.04 62.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.253 -0.43 . . . . 25.0 110.436 178.337 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -87.76 -19.68 27.22 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -175.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.1 p -137.16 179.0 6.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.702 -0.624 . . . . 25.0 110.576 -177.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -74.84 115.42 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.829 0.823 . . . . 25.0 109.282 -170.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 t -88.46 75.73 8.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.995 -1.002 . . . . 25.0 108.298 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 m -64.82 168.39 6.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.617 -0.72 . . . . 25.0 110.481 -179.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.85 -27.89 45.79 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -67.67 -38.1 83.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.19 0.519 . . . . 25.0 110.89 178.249 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -71.32 -38.72 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 178.469 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.02 -34.56 78.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.623 -0.717 . . . . 25.0 112.082 179.514 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.35 -26.61 65.21 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 122.071 -0.393 . . . . 25.0 111.935 176.6 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.69 -27.0 62.74 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 122.028 -0.42 . . . . 25.0 111.614 178.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -79.06 -28.13 43.15 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 175.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 t -75.19 95.49 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.831 -1.077 . . . . 25.0 112.331 -170.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 C--O 1.213 -0.847 0 CA-C-O 124.521 2.105 . . . . 25.0 111.419 -179.997 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.2 t80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 119.016 -0.516 . . . . 25.0 109.766 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.2 t -120.93 126.97 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.32 125.74 29.6 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 120.145 -0.622 . . . . 25.0 110.936 -178.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -160.28 153.71 22.2 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 104.283 -2.488 . . . . 25.0 104.283 173.213 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -68.51 144.71 54.52 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.584 -1.636 . . . . 25.0 106.584 171.537 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.3 mt -129.57 117.51 20.55 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 -176.002 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -132.94 -55.8 0.93 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -174.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.61 -145.57 5.69 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 111.599 -0.601 . . . . 25.0 111.599 178.011 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -21.05 7.16 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.282 1.215 . . . . 25.0 114.282 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -55.85 -35.35 66.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 173.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.92 -42.6 89.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.176 0.512 . . . . 25.0 109.804 -178.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.47 -41.74 83.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.429 179.316 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.0 -34.24 77.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.842 0.354 . . . . 25.0 110.99 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.44 -33.45 62.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.662 -0.245 . . . . 25.0 110.689 179.561 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.73 -32.72 74.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 119.638 -0.22 . . . . 25.0 111.518 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -58.89 -38.22 78.36 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.843 -0.343 . . . . 25.0 110.55 175.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -71.84 -42.63 66.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 -179.411 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.27 -42.48 50.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.151 -0.477 . . . . 25.0 110.256 -174.358 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -78.44 -25.42 45.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.541 -0.3 . . . . 25.0 111.548 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.64 -141.96 46.04 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.091 -1.052 . . . . 25.0 110.953 -177.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -69.88 -9.34 54.52 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.145 1.535 . . . . 25.0 115.145 -178.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -73.2 -18.43 61.25 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.44 1.018 . . . . 25.0 111.438 -177.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.11 174.87 43.78 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.267 -0.492 . . . . 25.0 112.933 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -167.6 176.17 6.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.323 -2.103 . . . . 25.0 105.323 -179.723 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -137.81 163.14 32.14 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 172.224 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.6 t80 . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 177.599 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 C--O 1.22 -0.451 0 N-CA-C 111.596 0.221 . . . . 25.0 111.596 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -70.71 -28.68 64.92 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.054 -0.658 . . . . 25.0 109.728 -179.095 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -61.83 -44.21 97.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.625 -0.261 . . . . 25.0 110.342 177.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.3 m -83.24 -17.69 41.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.934 0.397 . . . . 25.0 112.036 179.591 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.7 t -73.93 -44.33 55.39 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.692 -0.484 . . . . 25.0 109.692 176.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -88.13 -26.57 22.4 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.142 0.793 . . . . 25.0 113.142 -178.014 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 m -126.0 172.07 10.26 Favored 'General case' 0 C--O 1.204 -1.32 0 O-C-N 122.057 -0.402 . . . . 25.0 110.874 -178.611 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.84 -43.39 86.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 N-CA-C 115.035 1.494 . . . . 25.0 115.035 -164.189 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 m 55.17 89.83 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.007 0.908 . . . . 25.0 112.82 -173.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.2 p -65.12 168.18 7.04 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 175.441 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.64 -28.09 30.92 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -177.452 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -67.5 -36.24 80.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.236 0.541 . . . . 25.0 111.596 179.154 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -73.9 -38.93 64.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 177.076 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.22 -32.15 73.48 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.781 -0.645 . . . . 25.0 112.408 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.76 -25.76 20.41 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.225 0.824 . . . . 25.0 113.225 177.204 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -63.72 -26.94 68.88 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.703 0.631 . . . . 25.0 112.703 178.652 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -78.76 -12.42 60.02 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.38 148.05 50.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.586 0.707 . . . . 25.0 112.04 -170.046 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.207 -1.138 0 CA-C-O 124.365 2.031 . . . . 25.0 113.335 -177.837 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 119.078 -0.487 . . . . 25.0 109.769 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 82.0 t -123.22 122.75 66.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.543 -1.651 . . . . 25.0 106.543 179.106 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.24 126.28 29.05 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.081 0.467 . . . . 25.0 111.111 -177.198 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -159.88 148.17 17.17 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.628 -2.36 . . . . 25.0 104.628 176.186 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -66.8 143.19 57.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.132 -1.062 . . . . 25.0 108.132 171.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.05 105.27 12.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.423 0.63 . . . . 25.0 111.016 -175.515 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -139.95 152.92 46.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.5 -142.51 48.0 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.601 -0.809 . . . . 25.0 111.545 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -27.85 66.69 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 179.447 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -61.93 -35.04 77.25 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.958 -0.464 . . . . 25.0 111.142 179.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.1 tp -65.44 -44.45 87.27 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 178.139 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.08 -42.84 98.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.132 0.491 . . . . 25.0 110.494 -179.358 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.18 -36.33 83.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.04 0.448 . . . . 25.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.82 68.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.919 0.39 . . . . 25.0 110.266 -178.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.04 -29.46 69.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -177.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.86 -37.4 81.98 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.622 -0.431 . . . . 25.0 110.146 174.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.82 -43.02 66.29 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 179.635 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.3 t -71.78 -43.9 69.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 25.0 110.603 -174.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -80.25 -24.71 39.95 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.596 -0.441 . . . . 25.0 111.773 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.54 -137.21 50.04 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 109.649 -1.381 . . . . 25.0 109.649 -176.271 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.47 -8.81 53.9 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.494 1.294 . . . . 25.0 114.494 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -70.02 -26.75 64.2 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.778 -0.576 . . . . 25.0 112.479 -178.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.93 170.74 36.23 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.776 -0.726 . . . . 25.0 112.828 -177.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -160.7 176.71 11.22 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.414 -2.069 . . . . 25.0 105.414 -177.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -137.16 163.15 31.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.823 -1.547 . . . . 25.0 106.823 175.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.8 t80 . . . . . 0 C--N 1.321 -0.645 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 178.746 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 121.082 0.468 . . . . 25.0 110.088 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -63.89 -45.72 88.1 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 178.069 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -65.37 -39.24 92.05 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.639 -0.255 . . . . 25.0 111.214 179.188 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 m -69.93 -34.32 73.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -178.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.9 m -74.76 -47.77 29.25 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 178.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -88.06 -19.41 27.13 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -174.337 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -139.36 -174.44 3.87 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 -177.208 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm -74.92 116.83 18.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 121.452 -0.78 . . . . 25.0 111.461 -167.594 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -87.23 82.15 7.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 175.202 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.9 p -69.97 169.36 13.45 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.766 -0.827 . . . . 25.0 108.766 -178.457 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.46 -28.59 63.49 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 120.588 0.232 . . . . 25.0 111.561 179.303 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -69.82 -38.27 76.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.213 0.53 . . . . 25.0 111.114 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.4 -41.18 76.75 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 177.367 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.84 -36.58 83.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 25.0 111.983 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -57.69 -28.96 64.27 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 178.615 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -70.72 -26.94 63.62 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.546 0.572 . . . . 25.0 112.546 179.88 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.03 -17.01 48.28 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.789 0.804 . . . . 25.0 109.67 177.703 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.1 158.68 20.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 122.474 1.131 . . . . 25.0 113.994 -166.193 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.2 t30 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 124.846 2.26 . . . . 25.0 110.695 174.146 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.3 t80 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 119.112 -0.47 . . . . 25.0 109.828 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.7 t -119.23 129.12 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 107.361 -1.348 . . . . 25.0 107.361 179.747 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -73.13 132.88 43.81 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.376 0.132 . . . . 25.0 110.74 -179.317 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -160.42 149.21 16.94 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.704 0.764 . . . . 25.0 108.982 178.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -73.91 125.26 27.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.664 -1.153 . . . . 25.0 108.247 172.049 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.9 118.56 28.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -176.002 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -138.48 159.14 42.84 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 177.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.92 -138.38 49.61 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.872 -0.68 . . . . 25.0 112.74 178.006 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.3 p -60.97 -28.7 69.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.004 0.742 . . . . 25.0 113.004 -179.465 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -63.14 -35.84 81.61 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.627 -0.671 . . . . 25.0 110.703 178.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.29 -42.23 88.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -64.2 -44.86 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.894 179.228 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -65.52 -30.85 71.66 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.78 -0.575 . . . . 25.0 111.997 -178.88 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -35.47 74.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.87 0.367 . . . . 25.0 110.592 179.144 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.9 -29.1 69.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 -177.404 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -59.41 -39.72 84.37 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 176.179 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.3 mt -71.35 -41.52 69.66 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -177.751 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.59 -36.89 42.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.186 -174.372 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -82.48 -28.25 31.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.014 -0.675 . . . . 25.0 112.493 178.785 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.92 -135.43 51.99 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 109.772 -1.331 . . . . 25.0 109.772 -175.463 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -68.23 -10.13 52.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 114.552 1.316 . . . . 25.0 114.552 -179.011 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -68.33 -24.68 64.85 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.034 0.753 . . . . 25.0 113.034 -178.455 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.26 170.58 23.63 Favored Glycine 0 C--O 1.221 -0.682 0 N-CA-C 109.697 -1.361 . . . . 25.0 109.697 -174.284 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -157.51 174.98 14.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -134.19 165.04 26.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 178.164 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.8 t80 . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 177.033 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 121.526 0.679 . . . . 25.0 109.892 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.46 -41.28 96.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 25.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -63.84 -41.92 97.72 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.299 -179.461 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.6 m -75.26 -16.75 60.43 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 -179.063 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -82.52 -44.56 15.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.387 -0.37 . . . . 25.0 110.446 176.681 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 t -83.66 -26.85 29.53 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -176.442 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.442 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 87.8 p -134.01 -179.45 5.56 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.76 115.14 38.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 -177.648 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.5 m -78.1 117.07 19.04 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 174.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -66.37 163.14 18.85 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 175.116 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.26 -33.29 52.44 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -178.377 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -63.51 -38.04 89.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.382 0.611 . . . . 25.0 112.269 179.44 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -73.6 -38.13 65.22 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 178.044 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.2 -33.96 76.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.406 179.478 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.67 -23.33 27.74 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 177.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -63.48 -26.78 68.88 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 178.346 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -73.95 -10.74 59.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.064 0.459 . . . . 25.0 111.108 179.14 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.1 m -97.42 132.97 42.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.159 0.98 . . . . 25.0 110.409 -175.32 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.214 -0.778 0 CA-C-O 124.942 2.306 . . . . 25.0 112.317 179.707 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.1 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 119.092 -0.48 . . . . 25.0 109.733 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.93 122.23 53.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.8 107.67 12.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 121.407 0.622 . . . . 25.0 111.071 -178.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -147.07 143.85 28.65 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 104.298 -2.482 . . . . 25.0 104.298 174.187 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 65.5 m-70 -65.6 145.0 56.6 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 175.4 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.94 112.43 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -172.148 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 73.3 m -130.14 153.33 48.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 173.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.42 -136.73 46.34 Favored Glycine 0 C--O 1.228 -0.256 0 C-N-CA 120.941 -0.647 . . . . 25.0 113.444 175.542 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -27.11 65.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 179.877 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -64.82 -35.27 80.56 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.972 -0.455 . . . . 25.0 110.186 177.656 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 tp -69.64 -42.84 73.73 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.71 -43.07 96.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.593 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.87 -33.87 77.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.96 -0.462 . . . . 25.0 111.165 178.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.33 85.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.086 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 99.0 mt -65.69 -34.71 78.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.018 0.377 . . . . 25.0 112.018 -179.472 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -60.32 -38.09 82.65 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 110.398 -0.223 . . . . 25.0 110.398 175.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.96 -44.28 63.81 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 178.533 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -68.58 -44.93 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.261 -0.427 . . . . 25.0 111.885 -173.046 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.9 m -100.77 -6.1 25.42 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 -177.067 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.07 -148.95 45.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 119.843 -1.17 . . . . 25.0 113.069 176.007 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.86 -6.18 36.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 115.384 1.624 . . . . 25.0 115.384 -177.069 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -72.03 -15.33 62.03 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.318 0.963 . . . . 25.0 111.286 -178.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.98 176.48 50.03 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-O 121.605 0.558 . . . . 25.0 113.006 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -165.87 179.98 5.59 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 103.727 -2.694 . . . . 25.0 103.727 -178.3 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -134.99 164.52 27.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 177.561 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 t80 . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 179.039 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--O 1.219 -0.549 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -64.83 -37.84 88.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.333 -0.394 . . . . 25.0 110.663 179.858 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -61.75 -45.21 94.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.746 0.248 . . . . 25.0 110.894 178.128 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.2 m -73.15 -26.2 61.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.861 0.362 . . . . 25.0 111.654 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -75.22 -47.86 26.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.409 -0.36 . . . . 25.0 111.133 -179.196 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -87.19 -19.49 28.33 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.504 0.927 . . . . 25.0 113.504 -173.814 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.44 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 64.1 m -144.31 178.25 8.05 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -179.886 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.78 108.22 20.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.289 -1.004 . . . . 25.0 108.289 -176.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -83.83 143.85 29.66 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 174.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.2 p -79.77 170.3 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.172 -0.33 . . . . 25.0 110.163 -176.537 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.7 -28.09 68.38 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 120.612 0.244 . . . . 25.0 111.634 178.665 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.46 -39.07 74.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.257 0.551 . . . . 25.0 109.719 179.294 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -68.25 -37.49 80.81 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 177.404 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.36 -36.66 80.83 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.825 176.214 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -63.85 -14.19 51.09 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 178.765 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -64.37 -26.8 68.63 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.679 -0.638 . . . . 25.0 111.336 173.276 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -72.37 -11.81 60.85 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.356 -0.215 . . . . 25.0 111.47 178.734 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.0 m -67.37 143.09 56.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.334 -0.988 . . . . 25.0 108.334 179.605 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 t30 . . . . . 0 C--O 1.209 -1.034 0 CA-C-O 124.39 2.043 . . . . 25.0 113.413 -178.205 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.4 t80 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -84.53 142.12 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 -178.756 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -79.57 135.7 36.67 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.002 -0.679 . . . . 25.0 110.172 178.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -160.14 148.31 16.82 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 104.243 -2.503 . . . . 25.0 104.243 169.671 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.6 m-70 -71.56 140.75 49.97 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.659 -1.237 . . . . 25.0 107.659 171.391 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.28 105.44 12.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -177.237 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 t -139.97 152.32 46.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.374 -0.972 . . . . 25.0 108.374 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.24 -140.19 48.09 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.64 -0.79 . . . . 25.0 111.157 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -59.55 -29.48 67.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -35.02 76.76 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.999 -0.438 . . . . 25.0 111.065 179.762 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.07 -45.38 81.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 178.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.15 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.008 0.432 . . . . 25.0 110.827 -179.405 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.28 -36.3 83.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.951 0.405 . . . . 25.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.36 70.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.976 0.417 . . . . 25.0 109.882 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.44 -32.61 74.1 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.969 0.729 . . . . 25.0 112.969 -177.225 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -58.42 -42.86 88.2 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.731 -0.388 . . . . 25.0 110.311 175.718 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.87 -45.56 60.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 179.538 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -69.85 -39.46 77.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-O 121.49 0.662 . . . . 25.0 111.575 -173.239 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -88.67 -23.84 22.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.057 -0.52 . . . . 25.0 111.526 -179.456 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.85 -150.92 51.94 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.007 -1.092 . . . . 25.0 111.316 -177.129 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.35 -6.4 24.1 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.672 1.36 . . . . 25.0 114.672 -178.566 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -66.39 -23.61 66.35 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -177.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.59 152.62 13.61 Favored Glycine 0 C--O 1.228 -0.267 0 CA-C-O 121.831 0.684 . . . . 25.0 112.824 179.131 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -151.25 174.38 13.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 -174.106 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -126.81 164.3 21.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 178.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--N 1.321 -0.641 0 N-CA-C 106.526 -1.657 . . . . 25.0 106.526 177.752 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 120.978 0.418 . . . . 25.0 111.232 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -71.74 -28.73 63.86 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.515 -0.74 . . . . 25.0 110.539 -179.407 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -56.46 -36.33 68.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.968 0.413 . . . . 25.0 111.065 -178.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.1 m -100.8 -11.96 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.272 0.841 . . . . 25.0 113.272 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t -95.65 -45.36 7.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -176.433 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 t -75.49 -18.96 59.68 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.171 0.51 . . . . 25.0 111.368 -175.235 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.6 t -150.08 -168.98 3.26 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.5 -1.667 . . . . 25.0 106.5 177.434 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' B' ' 3' ' ' ASN . 33.3 mt -106.87 101.02 11.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.196 0.522 . . . . 25.0 109.691 -172.215 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 p -77.14 150.41 35.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 177.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.4 p -87.33 169.71 12.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.566 -0.288 . . . . 25.0 110.362 -177.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.35 -27.97 67.8 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.952 0.406 . . . . 25.0 111.289 177.085 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -68.5 -36.37 78.81 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 121.471 0.653 . . . . 25.0 110.354 179.08 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -71.03 -38.18 72.58 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 177.201 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.52 -33.24 73.49 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 112.477 0.547 . . . . 25.0 112.477 178.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -55.68 -27.79 52.07 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.234 0.827 . . . . 25.0 113.234 177.84 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.01 -26.99 67.79 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.813 0.671 . . . . 25.0 112.813 178.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -80.06 -8.28 59.3 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.743 0.417 . . . . 25.0 111.281 -175.681 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.7 m -73.57 150.45 41.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.909 0.861 . . . . 25.0 111.455 -174.71 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.207 -1.155 0 CA-C-O 123.176 1.465 . . . . 25.0 112.487 -179.381 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.9 t80 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.79 139.44 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 -178.782 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.457 ' HB2' HD13 ' A' ' 10' ' ' ILE . 8.6 p30 -80.92 137.86 36.13 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.407 0.622 . . . . 25.0 110.037 179.137 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -159.94 146.59 16.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.477 -2.046 . . . . 25.0 105.477 173.375 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.503 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 83.6 m-70 -69.06 140.5 54.89 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 105.97 -1.863 . . . . 25.0 105.97 167.589 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 85.5 mt -120.3 105.31 10.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.287 0.565 . . . . 25.0 111.254 -174.668 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 18.1 m -126.25 145.16 50.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.17 -132.47 50.91 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.572 -0.823 . . . . 25.0 113.294 176.485 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -27.27 65.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -62.98 -40.69 98.5 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.589 -0.694 . . . . 25.0 109.651 177.294 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.28 -42.78 87.93 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.62 -45.51 94.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.032 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -66.62 -33.63 76.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.883 -0.511 . . . . 25.0 111.67 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.41 73.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 179.507 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 mt -66.49 -31.05 71.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -177.697 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -57.28 -41.63 80.1 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.751 -0.38 . . . . 25.0 109.998 175.778 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -72.06 -44.8 62.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.96 -40.55 68.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.45 . . . . 25.0 110.767 -173.529 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -84.74 -22.93 29.5 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.591 -0.444 . . . . 25.0 111.949 -178.714 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.19 -140.16 48.17 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.022 -1.085 . . . . 25.0 111.771 -177.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -67.86 -10.05 49.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -177.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.24 -17.93 62.47 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.076 -0.39 . . . . 25.0 111.856 -179.409 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.0 177.56 29.27 Favored Glycine 0 N--CA 1.452 -0.284 0 N-CA-C 110.794 -0.923 . . . . 25.0 110.794 -177.161 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -161.46 177.8 9.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 -177.076 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -129.8 162.85 27.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.323 -0.578 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 179.424 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.469 0.493 0 CA-C-O 121.267 0.556 . . . . 25.0 111.056 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -68.65 -31.25 70.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.409 -0.36 . . . . 25.0 111.424 -177.182 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -56.53 -38.79 72.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.462 . . . . 25.0 110.526 -179.149 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -97.19 -21.83 17.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.825 0.676 . . . . 25.0 112.825 -178.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -87.56 -47.1 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -176.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -84.99 -17.75 36.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.376 -0.53 . . . . 25.0 110.921 -176.673 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.437 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 27.6 p -146.0 176.99 9.29 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 -178.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mm -89.21 131.19 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 -175.89 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -114.44 151.74 32.7 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.138 -1.801 . . . . 25.0 106.138 173.886 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -85.81 169.08 13.69 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -177.836 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.44 -28.12 69.58 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 120.738 0.304 . . . . 25.0 110.974 178.336 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -68.51 -37.21 79.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.466 0.65 . . . . 25.0 110.193 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -69.18 -33.61 73.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.284 176.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.53 -34.2 77.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.273 -0.422 . . . . 25.0 111.554 176.823 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -56.76 -30.37 63.53 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.86 -0.525 . . . . 25.0 112.1 178.204 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.32 -26.96 68.15 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -179.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -68.02 -23.78 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.145 -0.347 . . . . 25.0 110.576 -178.49 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m -84.89 52.97 2.56 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.561 0.696 . . . . 25.0 110.339 179.414 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.215 -0.756 0 CA-C-O 124.718 2.199 . . . . 25.0 111.956 -178.512 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.9 t -109.14 130.83 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 107.874 -1.158 . . . . 25.0 107.874 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -72.8 129.22 37.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.621 0.724 . . . . 25.0 110.432 178.47 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -160.3 145.82 15.05 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 104.197 -2.52 . . . . 25.0 104.197 174.447 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 75.9 m-70 -64.57 141.68 58.69 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 172.847 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.11 108.21 14.42 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 123.208 0.603 . . . . 25.0 111.388 -176.262 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 m -127.83 149.37 50.31 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.323 -0.991 . . . . 25.0 108.323 177.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.04 -136.08 48.62 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.725 -0.75 . . . . 25.0 113.158 177.768 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -26.46 65.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.822 1.045 . . . . 25.0 113.822 179.7 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -32.61 73.73 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.504 -0.747 . . . . 25.0 110.327 178.144 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.41 -40.71 73.7 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 120.844 0.354 . . . . 25.0 110.205 178.109 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.07 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.108 0.48 . . . . 25.0 110.303 178.71 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -69.51 -27.27 65.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.768 -0.582 . . . . 25.0 112.273 -178.873 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.76 -42.05 74.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 175.878 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.27 -33.44 75.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.266 -0.425 . . . . 25.0 111.913 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -55.12 -43.98 74.57 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 120.897 0.38 . . . . 25.0 110.151 175.13 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -71.92 -42.83 66.23 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -179.041 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -71.63 -43.91 70.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 25.0 111.653 -173.435 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.68 -15.99 33.46 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.739 -0.784 . . . . 25.0 111.233 179.791 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.24 -150.3 50.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.532 -0.842 . . . . 25.0 113.376 174.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -67.82 -6.39 21.15 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -178.4 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -70.18 -20.8 63.1 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.017 -0.427 . . . . 25.0 110.441 178.176 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.59 171.85 48.5 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.32 -0.712 . . . . 25.0 111.32 -178.363 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -166.37 177.74 6.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.977 -2.231 . . . . 25.0 104.977 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -137.51 164.03 29.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 171.464 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 t80 . . . . . 0 C--N 1.321 -0.654 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 177.391 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -66.48 -34.2 77.4 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 121.396 -0.815 . . . . 25.0 111.49 -176.365 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -58.84 -32.0 69.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.378 0.423 . . . . 25.0 111.88 -176.12 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.6 m -99.94 -26.24 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 178.013 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.7 t -75.0 -48.37 24.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -177.055 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -88.09 -18.95 27.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 -175.063 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.401 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 21.8 p -144.29 174.12 11.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.25 -0.281 . . . . 25.0 111.038 -175.842 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.1 mm -80.8 135.73 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.471 -1.678 . . . . 25.0 106.471 -174.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 p -129.98 156.53 44.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 175.534 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -110.72 173.8 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.953 -0.388 . . . . 25.0 109.953 -175.515 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.38 -28.65 67.08 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 179.382 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -68.95 -36.73 78.28 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 121.478 0.656 . . . . 25.0 110.085 179.441 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -74.76 -33.8 62.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.291 177.164 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.48 -32.06 73.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.53 . . . . 25.0 111.365 177.28 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.61 -24.34 55.88 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 177.055 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -68.13 -26.98 66.06 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 178.664 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.48 -26.0 59.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 179.454 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.68 128.71 36.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -179.315 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.209 -1.028 0 CA-C-O 122.757 1.265 . . . . 25.0 112.566 -175.85 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.995 -0.526 . . . . 25.0 109.641 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.7 p -138.16 137.78 43.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 106.181 -1.785 . . . . 25.0 106.181 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -75.83 127.41 32.95 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.24 0.543 . . . . 25.0 110.717 -178.001 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -160.27 153.06 21.27 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 173.264 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 65.7 m-70 -66.89 139.83 57.75 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 105.59 -2.004 . . . . 25.0 105.59 169.765 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -120.33 110.97 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.403 -0.962 . . . . 25.0 108.403 -176.553 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -146.6 161.94 39.47 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 -178.067 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.31 -142.84 48.28 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 110.016 -1.234 . . . . 25.0 110.016 -177.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.28 -31.73 69.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -60.9 -34.25 74.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.903 -0.498 . . . . 25.0 111.736 -179.049 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -69.35 -48.53 61.05 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.32 -0.552 . . . . 25.0 110.834 -179.384 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.1 -32.82 57.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 120.22 -0.592 . . . . 25.0 110.262 -177.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.2 -40.32 94.04 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.986 -0.446 . . . . 25.0 110.479 177.292 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.34 84.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.733 0.301 . . . . 25.0 110.231 179.443 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -65.39 -31.29 72.31 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 -178.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -61.04 -37.98 84.5 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.381 -0.527 . . . . 25.0 110.185 176.03 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.88 -43.15 65.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.1 t -74.6 -42.17 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.002 0.429 . . . . 25.0 111.051 -174.04 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 90.5 m -75.15 -28.42 60.12 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.523 -0.471 . . . . 25.0 109.929 177.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.94 -143.54 48.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.336 -0.935 . . . . 25.0 111.419 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.81 -6.41 26.66 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.169 1.174 . . . . 25.0 114.169 -179.077 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -68.72 -27.77 66.24 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.119 0.418 . . . . 25.0 110.991 178.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.52 171.74 36.85 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.631 -0.988 . . . . 25.0 110.631 -176.062 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -169.8 176.08 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 -178.344 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -132.22 159.82 37.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.177 -2.157 . . . . 25.0 105.177 170.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.1 t80 . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -178.074 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 121.446 0.641 . . . . 25.0 109.548 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -63.54 -43.44 97.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 25.0 110.379 178.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -60.61 -43.04 97.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.851 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.3 m -73.94 -26.76 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.465 179.62 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.08 -49.3 29.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 25.0 111.044 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -87.08 -25.27 24.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -174.17 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -132.43 -178.21 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.75 -0.593 . . . . 25.0 110.538 -178.346 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mm -73.41 120.64 22.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.756 0.789 . . . . 25.0 109.535 -170.232 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.13 85.29 6.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.197 -0.911 . . . . 25.0 109.02 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 m -63.54 159.34 18.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.124 179.608 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.0 -27.99 62.06 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -179.766 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -67.57 -36.55 81.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.279 0.562 . . . . 25.0 111.12 178.887 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -68.63 -40.22 80.4 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 177.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.32 -36.96 85.44 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.506 -0.77 . . . . 25.0 112.436 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -58.33 -25.05 61.48 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -179.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -66.8 -26.89 67.16 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.992 -0.443 . . . . 25.0 112.155 178.858 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -79.44 -8.16 58.92 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.511 0.325 . . . . 25.0 111.605 -178.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.55 147.66 45.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 122.339 1.066 . . . . 25.0 111.52 -173.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.3 t30 . . . . . 0 C--O 1.214 -0.775 0 CA-C-O 124.832 2.253 . . . . 25.0 111.206 178.043 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.2 t80 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 119.033 -0.508 . . . . 25.0 109.756 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -109.58 122.57 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -179.846 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -75.34 128.3 35.09 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.036 0.446 . . . . 25.0 111.313 -177.705 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -160.19 153.36 21.84 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 104.876 -2.268 . . . . 25.0 104.876 173.368 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -68.43 142.76 55.29 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.574 -1.639 . . . . 25.0 106.574 170.511 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.2 110.77 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -176.649 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -133.44 -39.89 0.9 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.608 1.336 . . . . 25.0 114.608 -175.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.65 -143.39 9.22 Favored Glycine 0 N--CA 1.457 0.044 0 N-CA-C 110.783 -0.927 . . . . 25.0 110.783 178.589 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -54.95 -26.66 37.89 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.89 0.476 . . . . 25.0 112.188 177.264 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -52.83 -37.43 60.06 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.897 0.702 . . . . 25.0 112.897 176.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.9 tp -67.12 -43.8 81.51 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.918 0.389 . . . . 25.0 110.181 -177.066 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.43 -40.95 83.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.189 0.518 . . . . 25.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.68 -34.23 77.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 25.0 110.992 -179.324 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.01 -32.43 65.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.981 0.419 . . . . 25.0 110.499 -179.43 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.39 -30.27 70.61 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.357 0.503 . . . . 25.0 112.357 -178.369 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -60.72 -37.73 82.7 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.678 -0.409 . . . . 25.0 109.98 175.677 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.4 mt -71.84 -47.14 55.17 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -76.15 -41.32 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.998 -0.547 . . . . 25.0 111.197 -171.471 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -86.06 -10.9 54.14 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.074 -0.251 . . . . 25.0 111.561 -179.444 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.1 -137.53 23.38 Favored Glycine 0 CA--C 1.519 0.321 0 CA-C-O 122.395 0.997 . . . . 25.0 114.54 176.436 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -72.93 -6.27 44.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.589 1.329 . . . . 25.0 114.589 -178.369 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.6 -18.79 50.84 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.801 -0.562 . . . . 25.0 110.509 -177.326 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.64 172.74 48.58 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.899 -0.88 . . . . 25.0 110.899 -178.687 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -156.76 174.02 16.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -177.208 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -131.08 160.94 33.18 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.435 -1.691 . . . . 25.0 106.435 176.385 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.4 t80 . . . . . 0 C--N 1.32 -0.684 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 179.342 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 119.799 -0.143 . . . . 25.0 110.779 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -70.73 -43.2 69.4 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.405 -0.809 . . . . 25.0 108.998 176.366 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -58.4 -38.35 77.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.35 -0.386 . . . . 25.0 111.287 -179.414 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.0 m -80.66 -33.52 35.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 177.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.7 t -73.81 -54.39 8.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.864 0.32 . . . . 25.0 111.864 -176.156 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -88.02 -18.72 28.36 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -174.154 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -137.93 -176.53 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -177.859 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.7 mm -72.34 122.78 25.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.756 0.789 . . . . 25.0 112.225 -166.22 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 t -92.8 96.77 10.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.68 -1.23 . . . . 25.0 107.68 176.625 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.5 p -75.68 167.06 22.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.46 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -60.92 -27.86 68.51 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 122.111 -0.368 . . . . 25.0 111.011 178.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -68.98 -37.7 78.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.494 0.664 . . . . 25.0 110.926 178.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -67.52 -38.83 84.83 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 176.593 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.51 -36.96 85.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.203 -0.31 . . . . 25.0 111.589 177.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.78 -26.22 67.96 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 176.899 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.98 -26.78 63.3 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.091 0.404 . . . . 25.0 112.091 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -79.97 -12.37 59.72 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.143 0.497 . . . . 25.0 110.738 177.776 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.38 147.82 49.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.441 0.639 . . . . 25.0 110.641 -171.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.5 t30 . . . . . 0 C--O 1.206 -1.195 0 CA-C-O 124.313 2.006 . . . . 25.0 113.017 -178.849 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 119.015 -0.517 . . . . 25.0 109.794 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.0 p -133.36 143.58 38.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 -179.441 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.04 140.39 52.82 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.273 0.558 . . . . 25.0 111.342 -177.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -160.19 150.78 18.66 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 106.371 -1.715 . . . . 25.0 106.371 172.681 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -70.12 142.25 52.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.46 -2.052 . . . . 25.0 105.46 166.911 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -136.38 118.76 15.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.205 0.526 . . . . 25.0 111.306 -176.594 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.39 158.98 43.2 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 -178.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.59 -144.7 47.76 Favored Glycine 0 C--O 1.229 -0.187 0 C-N-CA 120.831 -0.7 . . . . 25.0 112.532 179.25 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -27.62 66.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 179.5 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.68 -36.9 84.4 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.924 -0.485 . . . . 25.0 110.475 178.543 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.72 -44.03 82.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 179.248 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.36 -42.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.272 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.99 -32.66 74.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.821 -0.55 . . . . 25.0 111.578 179.718 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.82 68.34 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -65.56 -32.08 73.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.942 0.349 . . . . 25.0 111.942 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -62.1 -35.18 77.94 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.531 176.248 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.82 -42.95 66.38 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 179.25 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -75.3 -40.86 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.244 0.545 . . . . 25.0 111.069 -173.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.7 m -83.27 -22.18 33.09 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.8 -0.36 . . . . 25.0 110.972 178.868 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.1 -150.5 50.38 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 109.81 -1.316 . . . . 25.0 109.81 -176.468 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.75 -6.46 15.95 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.442 1.275 . . . . 25.0 114.442 179.395 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -72.25 -22.03 61.29 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 122.122 -0.361 . . . . 25.0 111.637 -178.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.24 176.08 48.11 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-O 121.898 0.721 . . . . 25.0 114.363 178.332 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -161.13 179.78 8.12 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.873 -2.269 . . . . 25.0 104.873 -177.107 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -127.44 158.72 36.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 177.002 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.2 t80 . . . . . 0 C--N 1.322 -0.595 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 179.413 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.218 -0.555 0 N-CA-C 110.459 -0.2 . . . . 25.0 110.459 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -65.64 -43.94 87.91 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.416 -0.802 . . . . 25.0 108.848 177.644 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.79 -37.14 78.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.774 -178.338 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.5 m -83.03 -28.74 29.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 179.456 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.0 m -77.78 -48.19 17.18 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.554 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -87.96 -18.08 29.87 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -176.204 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.437 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.7 t -137.12 -169.34 2.47 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 107.253 -1.388 . . . . 25.0 107.253 178.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -110.45 118.5 57.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 119.004 0.82 . . . . 25.0 109.936 -175.619 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 m -82.02 131.83 35.25 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.979 -0.748 . . . . 25.0 108.979 175.282 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.5 p -75.39 168.25 20.36 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.41 -1.329 . . . . 25.0 107.41 175.322 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.11 -32.32 67.99 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 111.856 0.317 . . . . 25.0 111.856 -179.704 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -66.82 -38.74 87.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 121.355 0.598 . . . . 25.0 111.368 179.806 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -69.02 -39.37 79.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 177.459 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.47 -33.95 76.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.033 -0.53 . . . . 25.0 112.129 179.502 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.65 -22.01 31.48 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.598 0.962 . . . . 25.0 113.598 178.012 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -65.49 -27.02 68.18 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.734 -0.603 . . . . 25.0 112.417 177.641 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -76.96 -11.44 59.81 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.285 0.564 . . . . 25.0 110.371 177.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.75 101.67 14.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.196 0.522 . . . . 25.0 110.382 -173.632 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 126.526 3.06 . . . . 25.0 111.917 -178.052 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.17 132.51 58.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 105.562 -2.014 . . . . 25.0 105.562 178.569 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.08 127.0 31.79 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 120.063 -0.655 . . . . 25.0 110.912 -176.556 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -160.18 150.44 18.4 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 102.963 -2.976 . . . . 25.0 102.963 173.644 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.0 m-70 -68.33 138.99 55.87 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 177.517 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.07 105.33 11.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.304 0.573 . . . . 25.0 111.444 -172.846 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.3 153.41 43.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 178.194 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.76 -134.58 51.17 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.487 -0.863 . . . . 25.0 111.738 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.4 p -60.59 -30.22 69.69 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 179.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -65.35 -32.24 73.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.702 -0.624 . . . . 25.0 111.798 179.586 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -68.61 -42.05 78.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 177.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.67 -42.46 96.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.075 -0.511 . . . . 25.0 110.444 178.478 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.27 -35.24 79.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.113 0.482 . . . . 25.0 111.051 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.37 -39.38 65.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.938 0.399 . . . . 25.0 110.059 179.493 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.08 -30.79 71.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -178.902 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -57.84 -39.73 78.39 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.89 -0.324 . . . . 25.0 110.848 175.075 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.8 mt -71.98 -41.74 67.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.3 t -74.14 -41.91 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.127 0.489 . . . . 25.0 111.243 -174.05 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.4 m -82.32 -22.11 35.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.535 -0.302 . . . . 25.0 111.198 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.09 -141.36 47.27 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.133 -1.032 . . . . 25.0 110.994 -178.46 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.2 -11.99 61.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -177.324 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -74.58 -16.29 60.81 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.955 0.798 . . . . 25.0 113.137 -175.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.17 173.81 46.49 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 121.165 -0.54 . . . . 25.0 113.0 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -167.15 -179.37 4.55 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 -177.833 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -137.12 164.35 28.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 174.771 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.5 t80 . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 176.704 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 121.018 0.437 . . . . 25.0 110.134 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -65.49 -45.32 84.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.097 0.475 . . . . 25.0 109.818 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -63.25 -40.65 98.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.635 -0.711 . . . . 25.0 110.698 -178.427 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 m -71.54 -31.83 67.48 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.743 0.275 . . . . 25.0 111.743 179.1 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -70.49 -49.96 43.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.9 0.381 . . . . 25.0 110.824 -178.867 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -87.97 -25.2 23.28 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.192 1.182 . . . . 25.0 114.192 -174.264 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.9 p -133.57 -177.22 4.44 Favored 'General case' 0 C--O 1.221 -0.395 0 O-C-N 121.623 -0.673 . . . . 25.0 110.174 -177.351 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.9 mm -71.62 117.54 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.874 0.845 . . . . 25.0 111.01 -167.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -88.43 96.06 10.45 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 178.429 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -73.21 167.28 21.5 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.292 -0.632 . . . . 25.0 109.292 -178.322 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.24 -29.79 69.0 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 122.224 -0.298 . . . . 25.0 110.914 178.769 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -67.91 -37.72 82.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.406 0.622 . . . . 25.0 110.933 179.402 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -66.3 -40.07 89.75 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 177.414 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.8 -37.04 85.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.847 0.314 . . . . 25.0 111.847 178.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.95 -31.12 70.68 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 122.014 -0.429 . . . . 25.0 111.864 177.088 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.15 -26.96 67.67 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 -179.642 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -71.12 -23.05 62.02 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.049 -0.407 . . . . 25.0 110.299 179.035 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.1 m -85.37 140.01 31.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.812 0.815 . . . . 25.0 109.835 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.213 -0.848 0 CA-C-O 125.08 2.371 . . . . 25.0 111.512 175.179 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.1 t80 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.809 -0.615 . . . . 25.0 109.631 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -136.67 143.69 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 -179.245 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -62.95 128.73 37.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.238 0.458 . . . . 25.0 112.238 -179.121 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -159.87 149.1 17.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 107.397 -1.335 . . . . 25.0 107.397 175.005 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -71.61 142.99 49.96 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 106.198 -1.778 . . . . 25.0 106.198 168.522 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -136.16 117.5 14.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.052 0.453 . . . . 25.0 111.008 -176.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -142.88 158.63 43.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 -178.233 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.12 -139.61 48.27 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.797 -0.716 . . . . 25.0 112.56 178.433 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.1 p -60.24 -29.81 69.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 179.568 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -63.86 -34.38 77.82 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.793 -0.567 . . . . 25.0 111.101 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.8 tp -66.57 -43.68 84.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 179.417 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.98 -42.26 91.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.711 -179.478 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -65.66 -30.53 71.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.842 -0.536 . . . . 25.0 111.359 179.495 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -33.25 65.45 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 122.064 -0.397 . . . . 25.0 110.023 178.415 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -66.33 -31.91 72.98 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.007 -0.277 . . . . 25.0 111.163 178.619 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -60.79 -36.84 80.01 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 120.887 -0.325 . . . . 25.0 110.266 174.672 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.81 -44.33 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.712 0.634 . . . . 25.0 112.712 179.897 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.3 t -79.31 -40.2 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.972 -172.216 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -17.27 43.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 177.227 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.31 -157.66 51.47 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 119.965 -1.112 . . . . 25.0 111.653 179.397 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.47 -6.46 25.11 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.416 1.636 . . . . 25.0 115.416 -177.146 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -72.13 -15.33 61.98 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.213 0.915 . . . . 25.0 111.419 -179.373 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.8 176.37 50.16 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 111.111 -0.796 . . . . 25.0 111.111 -178.497 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -163.03 179.29 7.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 104.312 -2.477 . . . . 25.0 104.312 -178.239 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -131.67 162.28 30.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 176.201 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.4 t80 . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 176.98 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 120.995 0.426 . . . . 25.0 111.723 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -63.03 -33.11 74.73 Favored 'General case' 0 C--O 1.221 -0.428 0 O-C-N 122.006 -0.434 . . . . 25.0 111.229 -176.269 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -59.6 -33.45 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.275 -0.42 . . . . 25.0 111.403 -178.845 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -94.24 -23.43 17.87 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.478 -0.489 . . . . 25.0 111.656 179.348 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.84 -48.25 15.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -177.87 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -87.28 -22.82 24.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.837 0.351 . . . . 25.0 111.605 -173.612 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.492 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 78.4 p -143.86 -173.19 3.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -91.92 118.01 36.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.757 -0.589 . . . . 25.0 112.397 -169.839 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.8 113.14 20.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 167.197 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.7 p -73.91 169.45 17.41 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.029 -1.471 . . . . 25.0 107.029 176.591 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.99 -28.14 66.06 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 111.947 0.351 . . . . 25.0 111.947 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -68.85 -41.29 78.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.897 -0.502 . . . . 25.0 110.467 179.48 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -66.55 -40.97 89.32 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 175.807 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.18 -37.03 85.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -179.528 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -62.81 -31.56 72.57 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.445 -0.784 . . . . 25.0 111.758 175.008 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -26.74 68.8 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 178.066 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -70.99 -20.7 62.39 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.737 -0.602 . . . . 25.0 111.304 176.554 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 p -113.74 43.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.727 1.251 . . . . 25.0 110.435 177.379 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--O 1.216 -0.676 0 CA-C-O 124.693 2.187 . . . . 25.0 111.318 175.11 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.8 t80 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.908 -0.567 . . . . 25.0 109.782 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -136.9 143.59 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 -178.508 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -66.25 136.04 55.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.265 0.555 . . . . 25.0 110.569 -178.362 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -160.18 143.86 14.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 172.785 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.0 m-70 -70.48 146.42 50.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.306 -1.738 . . . . 25.0 106.306 167.91 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.5 mt -135.14 122.66 21.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 -173.53 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -133.72 158.1 44.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 177.161 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.98 -133.43 41.08 Favored Glycine 0 C--O 1.231 -0.04 0 C-N-CA 121.2 -0.524 . . . . 25.0 113.903 174.062 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.0 p -58.43 -31.98 68.25 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -179.392 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -64.58 -36.23 83.56 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.325 0.511 . . . . 25.0 111.425 -179.673 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.0 tp -67.0 -40.97 87.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.268 0.556 . . . . 25.0 109.64 -179.886 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.9 -42.69 89.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.319 178.699 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -62.94 -36.63 84.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.431 . . . . 25.0 110.653 179.018 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.52 -38.13 77.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.275 -0.42 . . . . 25.0 110.333 -179.277 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.59 -32.59 74.11 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 -178.449 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -59.28 -41.69 89.53 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.183 0.447 . . . . 25.0 110.302 175.921 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -71.98 -41.57 67.51 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -177.866 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -78.89 -41.53 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.092 0.472 . . . . 25.0 111.776 -173.408 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.44 -17.3 49.3 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 179.084 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.87 -153.51 52.96 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-O 121.826 0.681 . . . . 25.0 113.029 175.898 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -11.59 27.09 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 -178.711 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -65.71 -24.45 66.99 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 122.192 -0.317 . . . . 25.0 110.562 177.279 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.29 -172.6 55.23 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.008 -1.637 . . . . 25.0 109.008 -175.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -161.7 178.68 8.78 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 -178.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -140.68 168.82 18.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 104.066 -2.568 . . . . 25.0 104.066 178.266 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 106.797 -1.557 . . . . 25.0 106.797 175.795 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 121.358 0.599 . . . . 25.0 111.809 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -63.89 -35.52 80.92 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.127 -0.358 . . . . 25.0 111.212 -179.343 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -62.71 -40.91 98.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 25.0 110.774 -179.543 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -82.46 -12.41 57.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.324 0.491 . . . . 25.0 112.324 -177.548 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 m -82.68 -45.04 14.97 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 174.227 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 t -82.89 -24.79 33.0 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -177.345 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.474 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.2 t -136.94 177.37 7.92 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.811 -0.556 . . . . 25.0 110.355 179.158 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.8 mm -70.15 -43.41 78.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 115.519 1.674 . . . . 25.0 115.519 -162.091 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.1 m 56.04 82.19 0.11 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.944 0.878 . . . . 25.0 111.259 -171.086 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -66.33 168.57 8.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.664 -1.235 . . . . 25.0 107.664 174.546 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.17 -28.77 42.58 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -177.851 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -68.74 -37.9 79.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.975 0.417 . . . . 25.0 111.011 179.234 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -73.28 -35.93 66.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.423 0.63 . . . . 25.0 109.764 176.561 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.06 -32.12 73.42 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.777 -0.647 . . . . 25.0 111.688 178.899 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.13 -13.91 14.38 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 176.218 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -65.06 -27.41 68.76 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.853 -0.53 . . . . 25.0 110.921 174.39 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -82.81 -5.33 58.9 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.294 0.637 . . . . 25.0 111.952 -179.789 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.28 141.84 47.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.91 0.862 . . . . 25.0 112.098 -171.509 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 t30 . . . . . 0 C--O 1.207 -1.15 0 CA-C-O 124.529 2.109 . . . . 25.0 112.66 178.793 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 118.765 -0.636 . . . . 25.0 109.673 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.33 143.65 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -74.54 126.26 30.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.261 0.553 . . . . 25.0 111.926 179.617 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -158.98 150.04 20.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 103.826 -2.657 . . . . 25.0 103.826 170.188 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.474 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.6 m-70 -69.69 146.5 51.53 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 171.285 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 mt -132.36 120.88 22.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -171.897 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -129.36 157.04 43.03 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.497 -0.32 . . . . 25.0 110.271 176.938 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.31 -133.87 45.72 Favored Glycine 0 C--O 1.226 -0.348 0 C-N-CA 120.927 -0.654 . . . . 25.0 113.799 172.908 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.2 p -60.41 -29.87 69.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -179.351 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -62.8 -41.12 99.15 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.688 -0.633 . . . . 25.0 109.461 177.418 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -68.86 -43.29 75.71 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.858 -0.423 . . . . 25.0 109.858 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.93 -45.93 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.587 0.232 . . . . 25.0 111.361 179.605 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.25 -28.57 65.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.42 -0.8 . . . . 25.0 111.659 -179.222 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.92 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 176.19 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -65.46 -33.96 77.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.28 0.474 . . . . 25.0 112.28 -179.634 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -57.47 -40.33 78.33 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 120.797 0.332 . . . . 25.0 110.221 175.461 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.7 mt -71.84 -43.77 64.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -179.437 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.34 -43.37 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.109 0.481 . . . . 25.0 110.573 -174.257 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.6 m -84.56 -24.51 29.23 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -178.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.86 -138.05 48.97 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.085 -1.206 . . . . 25.0 110.085 -176.426 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -68.35 -6.84 26.56 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.979 1.474 . . . . 25.0 114.979 -179.337 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -70.26 -24.63 63.09 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.657 -0.652 . . . . 25.0 112.277 -178.6 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.89 167.14 36.94 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 110.794 -0.923 . . . . 25.0 110.794 -176.284 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -158.6 174.83 14.46 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -176.791 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -126.4 161.77 27.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.719 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 -178.338 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 C--O 1.217 -0.649 0 CA-C-O 121.348 0.594 . . . . 25.0 109.673 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.98 -39.9 96.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.984 -0.553 . . . . 25.0 109.746 178.547 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.44 -39.41 93.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.546 -0.297 . . . . 25.0 111.08 179.372 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 66.2 m -80.22 -13.26 59.37 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 178.265 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.04 -45.28 14.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.925 0.393 . . . . 25.0 110.057 175.229 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 t -84.74 -22.29 29.72 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.184 0.516 . . . . 25.0 111.941 -177.393 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.475 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 65.2 m -136.81 176.36 8.78 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 121.531 -0.73 . . . . 25.0 109.684 179.265 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.4 mm -71.83 -45.56 64.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 115.564 1.69 . . . . 25.0 115.564 -163.624 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.3 m 60.99 98.65 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 122.012 0.91 . . . . 25.0 111.374 -169.374 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.7 p -67.18 167.08 12.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 176.655 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.13 -33.73 65.43 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 122.156 -0.34 . . . . 25.0 111.81 -179.359 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.87 -37.68 86.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.454 0.645 . . . . 25.0 111.829 179.04 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -68.51 -38.78 81.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 177.262 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.76 -32.13 73.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.784 -0.643 . . . . 25.0 112.647 179.506 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -55.64 -28.94 58.18 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.402 0.547 . . . . 25.0 112.35 177.675 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -59.53 -27.91 66.6 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.889 0.7 . . . . 25.0 112.889 178.787 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -64.25 -23.08 67.18 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 122.356 -0.215 . . . . 25.0 110.706 178.744 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.8 p -128.36 35.7 4.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 177.283 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 N--CA 1.481 1.089 0 C-N-CA 125.364 1.466 . . . . 25.0 113.802 -175.939 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 118.971 -0.537 . . . . 25.0 109.818 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.4 129.78 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 -177.356 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -67.65 124.92 24.6 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.299 0.571 . . . . 25.0 111.383 178.385 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -160.3 149.49 17.38 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 104.083 -2.562 . . . . 25.0 104.083 173.515 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.6 m-70 -70.51 146.73 50.03 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 170.493 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 mt -128.33 113.3 15.43 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -170.523 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.5 m -129.6 157.59 41.66 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 175.705 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.56 -135.16 45.73 Favored Glycine 0 C--O 1.229 -0.164 0 C-N-CA 121.209 -0.519 . . . . 25.0 113.927 174.12 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -30.48 68.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -179.249 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.5 -37.15 86.19 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.717 -0.614 . . . . 25.0 110.33 179.047 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.78 -45.4 78.58 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 121.22 -0.192 . . . . 25.0 111.494 -178.245 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.46 -29.02 26.28 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 C-N-CA 119.792 -0.763 . . . . 25.0 111.426 -178.839 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.04 -32.74 71.02 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.561 -0.712 . . . . 25.0 110.383 175.275 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.79 89.72 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 174.603 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.62 -33.69 76.18 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 179.81 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -58.82 -43.68 90.69 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 175.377 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.94 -42.46 66.62 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -179.799 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -70.9 -47.73 60.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.781 0.289 . . . . 25.0 111.781 -174.567 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -14.33 50.83 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.051 -0.659 . . . . 25.0 109.828 -178.155 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.02 -148.01 49.95 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-O 122.246 0.914 . . . . 25.0 115.038 173.442 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -64.25 -16.2 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.712 1.004 . . . . 25.0 113.712 -176.078 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -22.55 64.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.363 0.265 . . . . 25.0 110.807 178.797 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.77 -176.11 54.79 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.218 -1.553 . . . . 25.0 109.218 -175.882 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -158.8 174.62 14.73 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.566 -2.013 . . . . 25.0 105.566 -178.645 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -126.23 158.74 34.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 175.541 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.8 t80 . . . . . 0 C--N 1.32 -0.7 0 N-CA-C 105.709 -1.96 . . . . 25.0 105.709 -179.992 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.6 t . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 121.485 0.659 . . . . 25.0 112.551 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -62.04 -28.59 69.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -176.27 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.7 -25.97 68.17 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.582 0.215 . . . . 25.0 111.582 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -97.06 -12.9 22.63 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.967 0.413 . . . . 25.0 111.175 176.52 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -92.23 -49.7 6.04 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -175.885 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -73.9 -19.32 60.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 25.0 112.01 -174.047 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.458 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 62.1 p -149.71 -178.08 6.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 -179.455 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.9 mm -86.13 133.82 28.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -176.095 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -116.98 145.38 43.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.464 -1.68 . . . . 25.0 106.464 173.067 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.4 p -94.09 171.5 8.81 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 -177.271 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.96 -28.07 68.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.813 0.339 . . . . 25.0 111.474 178.255 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -67.9 -40.72 83.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.068 0.461 . . . . 25.0 109.876 -179.871 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -70.21 -39.55 75.07 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.572 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -60.17 -35.3 75.04 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 -179.41 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.08 -28.13 62.34 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 119.031 0.832 . . . . 25.0 112.705 178.47 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -65.43 -26.9 68.17 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.115 0.413 . . . . 25.0 112.115 178.092 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -73.53 -12.73 60.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.485 -0.325 . . . . 25.0 111.728 -176.367 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -132.54 168.59 17.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 122.169 0.985 . . . . 25.0 112.368 -173.815 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--O 1.21 -1.012 0 CA-C-O 124.196 1.95 . . . . 25.0 113.557 178.356 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.4 t80 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.808 -0.615 . . . . 25.0 109.761 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.57 134.2 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -177.821 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.92 124.65 24.29 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.23 0.538 . . . . 25.0 111.513 178.094 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -160.17 147.06 16.03 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.801 -1.926 . . . . 25.0 105.801 173.841 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 71.9 m-70 -67.97 143.74 55.48 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.124 -1.065 . . . . 25.0 108.124 170.856 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 37.0 mt -128.78 105.61 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.282 0.233 . . . . 25.0 110.47 -175.117 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -117.33 -6.25 11.27 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.183 1.92 . . . . 25.0 116.183 -173.313 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.26 -126.0 1.11 Allowed Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.775 -0.726 . . . . 25.0 112.194 -176.188 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -28.83 63.14 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.218 0.509 . . . . 25.0 111.567 177.931 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -57.23 -36.93 71.51 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 175.667 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.56 -39.91 80.84 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 -178.264 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.11 -43.28 97.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.106 0.479 . . . . 25.0 109.93 177.68 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.01 -32.73 74.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.047 0.451 . . . . 25.0 110.935 179.326 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.91 -40.44 65.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.857 -0.424 . . . . 25.0 109.857 178.864 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.0 -34.54 78.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.457 -0.338 . . . . 25.0 111.347 -179.256 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -55.12 -45.15 75.53 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.04 0.448 . . . . 25.0 109.953 175.004 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.98 -43.77 64.59 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.517 0.932 . . . . 25.0 113.517 -178.739 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.19 -44.46 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.92 0.39 . . . . 25.0 111.937 -172.376 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -18.79 37.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.925 -0.768 . . . . 25.0 108.925 179.524 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.46 -143.8 46.12 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-O 122.392 0.996 . . . . 25.0 113.907 174.078 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 -10.18 50.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.766 1.395 . . . . 25.0 114.766 -176.833 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -76.76 -8.2 56.85 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.885 0.766 . . . . 25.0 111.131 -179.836 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.79 170.71 44.76 Favored Glycine 0 C--O 1.226 -0.381 0 N-CA-C 110.324 -1.11 . . . . 25.0 110.324 -179.686 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -158.52 171.38 20.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 -177.725 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -133.15 165.96 23.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.512 -2.033 . . . . 25.0 105.512 174.577 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.9 t80 . . . . . 0 C--N 1.321 -0.661 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 179.616 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 121.149 0.499 . . . . 25.0 110.169 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -65.0 -40.49 95.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.366 -0.379 . . . . 25.0 109.992 178.827 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -60.63 -43.37 97.6 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.682 -0.235 . . . . 25.0 110.799 -178.634 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.0 m -75.12 -27.39 59.8 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.008 0.744 . . . . 25.0 113.008 179.386 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -83.36 -51.84 7.06 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -177.22 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -81.94 -19.43 40.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 25.0 111.174 -173.999 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.454 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.0 t -145.72 -175.32 4.69 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.976 -0.453 . . . . 25.0 110.054 179.573 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -87.55 133.46 30.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 -173.729 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.6 p -120.61 137.95 54.16 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 171.993 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.8 p -86.76 175.71 8.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 -175.039 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.38 -32.09 70.97 Favored 'General case' 0 C--O 1.215 -0.728 0 C-N-CA 121.131 -0.228 . . . . 25.0 111.019 177.492 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -67.68 -38.32 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.321 0.581 . . . . 25.0 110.548 179.321 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -67.11 -39.27 86.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 177.282 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.03 -33.41 75.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.802 -0.635 . . . . 25.0 112.601 179.554 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.23 -22.41 52.03 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 177.499 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -63.6 -26.87 68.88 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.422 0.527 . . . . 25.0 112.422 177.799 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -70.53 -29.57 66.08 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.243 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 m -89.37 49.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.151 0.977 . . . . 25.0 108.814 179.496 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.212 -0.91 0 CA-C-O 125.02 2.343 . . . . 25.0 113.62 -173.169 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.1 t80 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -138.28 143.75 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 106.222 -1.77 . . . . 25.0 106.222 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -69.96 133.59 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.708 0.766 . . . . 25.0 111.374 -178.86 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -160.36 155.37 24.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 103.555 -2.758 . . . . 25.0 103.555 172.056 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 72.0 m-70 -69.2 145.31 53.32 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.297 -1.372 . . . . 25.0 107.297 170.11 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.88 113.91 20.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.73 0.3 . . . . 25.0 111.218 -178.298 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 91.8 m -132.45 156.53 46.56 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 175.304 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.72 -129.68 41.76 Favored Glycine 0 CA--C 1.516 0.106 0 C-N-CA 121.067 -0.587 . . . . 25.0 114.095 174.121 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.3 p -59.99 -36.03 76.3 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 179.844 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -62.12 -35.09 77.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.962 -0.461 . . . . 25.0 110.98 -179.876 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.0 tp -68.86 -47.66 65.38 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.81 -0.356 . . . . 25.0 111.48 -179.378 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.54 -31.99 51.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 120.131 -0.628 . . . . 25.0 110.065 -178.155 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.36 -38.48 87.7 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.85 -0.531 . . . . 25.0 110.852 176.667 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.41 90.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.925 -0.31 . . . . 25.0 110.29 179.265 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.28 -34.65 78.15 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 -179.236 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -63.34 -38.56 91.64 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 120.696 -0.402 . . . . 25.0 110.227 177.141 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -71.92 -43.99 64.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 178.856 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.3 t -70.67 -45.57 73.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.146 0.498 . . . . 25.0 111.533 -173.785 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.8 m -94.62 -7.4 41.03 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.362 -176.62 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.15 -162.61 54.15 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-O 122.301 0.945 . . . . 25.0 114.377 172.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -68.01 -6.31 21.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.843 -0.678 . . . . 25.0 112.751 -178.815 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -68.58 -22.18 64.47 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.677 0.275 . . . . 25.0 110.318 177.569 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.14 -176.96 51.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.975 -0.631 . . . . 25.0 111.996 179.915 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -167.4 -178.98 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.491 -2.411 . . . . 25.0 104.491 -177.057 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -129.58 161.88 29.51 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.373 -1.343 . . . . 25.0 107.373 173.628 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 179.398 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.22 -0.454 0 N-CA-C 110.41 -0.219 . . . . 25.0 110.41 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mp0 -69.49 -40.6 76.94 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.667 -0.646 . . . . 25.0 109.742 176.677 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -56.87 -44.43 82.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.31 0.381 . . . . 25.0 110.273 -178.347 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.5 m -79.38 -30.06 42.35 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.309 -0.556 . . . . 25.0 111.813 -177.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 t -70.65 -50.59 35.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.739 0.304 . . . . 25.0 110.84 -179.274 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -88.06 -19.22 27.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -175.204 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.459 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 53.3 p -140.34 -171.17 3.14 Favored 'General case' 0 C--O 1.223 -0.318 0 O-C-N 121.649 -0.657 . . . . 25.0 110.853 -178.822 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.3 mm -97.67 108.38 21.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.839 -0.538 . . . . 25.0 110.377 -171.607 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 m -79.8 130.21 35.13 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 175.242 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.6 p -79.85 169.2 18.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 175.386 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.41 -30.46 68.47 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 -179.856 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -67.61 -37.29 82.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.444 0.64 . . . . 25.0 111.075 -179.669 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -69.46 -38.41 77.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 177.299 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.37 -33.88 76.88 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 179.092 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.8 -21.0 25.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 178.591 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -66.65 -26.93 67.29 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.746 -0.597 . . . . 25.0 112.368 177.104 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -81.2 -6.05 58.42 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.936 0.398 . . . . 25.0 111.813 178.781 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.76 157.54 37.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.778 0.799 . . . . 25.0 112.578 -170.727 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.7 t30 . . . . . 0 C--O 1.214 -0.808 0 CA-C-O 124.693 2.187 . . . . 25.0 111.568 178.934 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.951 -0.547 . . . . 25.0 109.533 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 81.7 t -131.02 133.08 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 -179.465 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -67.56 125.93 27.74 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.467 0.651 . . . . 25.0 110.141 177.804 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -160.31 143.77 13.78 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 105.955 -1.868 . . . . 25.0 105.955 176.262 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.459 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.6 m-70 -69.45 144.95 53.13 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 170.856 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.5 mt -129.46 105.42 8.09 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.942 -0.392 . . . . 25.0 109.942 -173.738 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.1 -57.51 1.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -176.049 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.15 -138.32 4.91 Favored Glycine 0 C--O 1.227 -0.32 0 N-CA-C 111.761 -0.536 . . . . 25.0 111.761 178.529 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -25.13 13.94 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 179.183 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -56.91 -36.49 70.22 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 175.693 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 tp -65.31 -42.23 93.25 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 -179.177 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.53 -43.17 96.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.231 178.58 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.13 -35.64 80.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.1 0.476 . . . . 25.0 111.023 -179.613 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.98 -38.96 69.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.356 -0.384 . . . . 25.0 110.166 179.915 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 mt -66.43 -28.12 68.36 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -177.927 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -60.71 -36.37 78.64 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.662 -0.415 . . . . 25.0 110.632 174.753 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.03 -43.42 65.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.107 0.479 . . . . 25.0 111.785 178.898 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.92 -42.33 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.896 -0.593 . . . . 25.0 110.999 -173.497 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.2 m -90.49 -13.03 35.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.58 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.1 -136.26 34.59 Favored Glycine 0 CA--C 1.52 0.362 0 CA-C-O 122.402 1.001 . . . . 25.0 113.128 179.185 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -72.46 -10.52 59.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.152 1.168 . . . . 25.0 114.152 -178.542 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.89 -19.32 54.95 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.955 -0.466 . . . . 25.0 111.059 -176.851 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.84 173.93 44.12 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 121.943 0.746 . . . . 25.0 113.674 178.611 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -159.96 176.97 11.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.079 -2.193 . . . . 25.0 105.079 -177.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -133.67 165.77 24.15 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 179.179 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 C--N 1.32 -0.685 0 N-CA-C 106.817 -1.549 . . . . 25.0 106.817 175.36 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 121.735 0.779 . . . . 25.0 109.344 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -58.21 -40.52 81.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.142 -0.935 . . . . 25.0 111.387 -178.427 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -39.58 89.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.757 -0.201 . . . . 25.0 111.37 179.808 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -27.01 54.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.319 0.58 . . . . 25.0 111.498 179.409 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.2 m -70.65 -42.48 70.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.35 -0.386 . . . . 25.0 110.655 176.702 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -87.94 -23.49 23.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.952 1.093 . . . . 25.0 113.952 -176.226 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 48.8 m -137.01 158.68 43.91 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 121.26 -0.9 . . . . 25.0 111.357 -178.136 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp -78.48 118.94 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 122.008 -0.433 . . . . 25.0 110.16 -173.848 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.9 m -83.23 128.06 34.17 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 171.132 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.6 p -76.32 169.3 18.48 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.487 -2.042 . . . . 25.0 105.487 173.213 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.11 -30.48 68.14 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 122.062 -0.399 . . . . 25.0 111.302 179.381 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -68.89 -38.99 80.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.089 0.471 . . . . 25.0 111.156 179.395 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.94 -37.3 75.84 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.149 -0.686 . . . . 25.0 109.149 177.872 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.73 -31.98 73.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.736 -0.665 . . . . 25.0 112.335 177.43 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.36 -24.07 58.76 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 177.526 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -63.16 -28.42 70.04 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.593 -0.692 . . . . 25.0 111.607 176.221 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -89.07 -3.65 58.6 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.193 0.597 . . . . 25.0 110.387 -178.869 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 125.95 46.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.643 1.211 . . . . 25.0 113.089 -164.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 C--O 1.214 -0.802 0 CA-C-O 122.864 1.316 . . . . 25.0 110.02 179.018 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.9 t80 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.999 -0.524 . . . . 25.0 109.693 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -138.5 143.68 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 -179.313 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -64.48 126.62 28.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.583 0.706 . . . . 25.0 112.286 -178.995 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -160.17 148.74 17.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 104.578 -2.378 . . . . 25.0 104.578 172.526 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.7 m-70 -70.95 146.22 49.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 172.69 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 108.33 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.25 0.548 . . . . 25.0 111.967 -174.59 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -141.09 154.46 45.94 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 178.118 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.73 -143.69 48.71 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.499 -0.858 . . . . 25.0 111.392 -179.613 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -27.84 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 179.436 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -61.16 -32.0 71.73 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.868 -0.52 . . . . 25.0 111.211 179.203 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.19 -47.98 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.002 -0.279 . . . . 25.0 111.409 -179.743 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 m -71.43 -30.7 40.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.012 -0.675 . . . . 25.0 110.685 -178.168 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.54 -40.2 95.16 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.94 -0.475 . . . . 25.0 110.243 176.662 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.02 85.98 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 178.126 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -66.06 -30.59 71.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -178.626 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -61.42 -36.45 80.37 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.847 -0.341 . . . . 25.0 110.188 174.903 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.84 -40.9 68.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 178.939 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -74.59 -42.51 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.01 0.433 . . . . 25.0 111.534 -174.238 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -15.41 37.52 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.177 -0.609 . . . . 25.0 111.388 -179.657 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.74 -152.25 52.49 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.295 -0.955 . . . . 25.0 111.226 -178.549 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -66.59 -7.34 19.56 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.945 1.091 . . . . 25.0 113.945 -178.289 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -66.03 -26.26 67.44 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 -179.412 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.06 -179.97 51.88 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 108.176 -1.97 . . . . 25.0 108.176 -172.903 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -161.77 -175.83 4.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.7 -1.592 . . . . 25.0 106.7 -175.974 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -126.7 168.71 14.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.147 0.499 . . . . 25.0 109.948 -178.749 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 67.9 t80 . . . . . 0 C--N 1.323 -0.586 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 178.26 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--O 1.218 -0.566 0 N-CA-C 109.959 -0.385 . . . . 25.0 109.959 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -64.82 -41.44 95.77 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 178.488 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -56.87 -40.04 75.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.472 -179.178 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.74 -10.44 42.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -178.782 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.4 t -91.97 -44.11 9.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.568 0.223 . . . . 25.0 110.856 178.502 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -87.81 -21.64 24.95 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.92 -0.488 . . . . 25.0 110.756 -179.534 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.462 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 50.8 m -130.75 -178.72 4.92 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 175.833 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -77.51 -50.72 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 115.722 1.749 . . . . 25.0 115.722 -164.457 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.8 m 63.09 111.99 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 122.181 0.991 . . . . 25.0 112.191 -167.817 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.1 p -71.69 165.38 24.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.432 -1.321 . . . . 25.0 107.432 175.402 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -56.65 -27.98 59.65 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -179.082 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -68.55 -37.46 79.95 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.21 0.529 . . . . 25.0 111.096 179.165 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -70.97 -34.16 71.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.417 0.627 . . . . 25.0 109.501 177.206 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.92 -32.18 72.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.184 178.391 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.35 -28.04 40.21 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.38 0.536 . . . . 25.0 112.221 178.244 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -59.34 -27.02 65.54 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.564 0.949 . . . . 25.0 113.564 178.681 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -72.49 -14.01 61.56 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 122.112 -0.368 . . . . 25.0 111.909 -179.373 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.5 m -82.64 151.87 26.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 -178.41 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t30 . . . . . 0 C--O 1.213 -0.825 0 CA-C-O 124.553 2.121 . . . . 25.0 112.139 -178.745 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.3 t80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.808 -0.615 . . . . 25.0 109.647 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t -125.79 133.23 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -178.807 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -71.13 128.78 37.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.296 0.569 . . . . 25.0 111.49 178.665 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -159.52 149.27 18.55 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 104.018 -2.586 . . . . 25.0 104.018 172.657 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.462 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.7 m-70 -70.42 144.87 51.38 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 170.882 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.9 mt -125.38 105.35 9.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.226 0.536 . . . . 25.0 112.403 -173.033 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 m -122.73 151.52 41.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 179.111 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.71 -133.65 47.35 Favored Glycine 0 C--O 1.228 -0.268 0 C-N-CA 120.939 -0.648 . . . . 25.0 113.275 176.019 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -29.24 67.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.158 1.17 . . . . 25.0 114.158 -179.121 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -36.41 83.11 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.75 -0.594 . . . . 25.0 110.563 179.502 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.6 tp -66.04 -42.7 89.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 179.286 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.15 -43.08 97.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.066 0.46 . . . . 25.0 110.59 178.771 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.65 -34.93 78.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.891 0.377 . . . . 25.0 110.882 -179.679 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.83 -38.3 73.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.948 -0.389 . . . . 25.0 109.948 -178.917 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.84 -27.98 69.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 -176.675 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -60.47 -42.47 96.3 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.895 -0.409 . . . . 25.0 109.895 174.313 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -71.88 -39.23 69.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.968 0.413 . . . . 25.0 111.783 179.104 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.96 -48.11 85.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 25.0 111.338 -174.647 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.33 -12.01 26.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.091 -0.644 . . . . 25.0 112.71 -177.049 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.65 -145.58 49.93 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.323 -0.941 . . . . 25.0 111.968 178.656 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -66.25 -9.58 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -178.038 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -69.06 -25.46 64.47 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 122.114 -0.366 . . . . 25.0 110.95 178.155 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.88 179.34 51.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.891 -0.671 . . . . 25.0 112.111 -177.901 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -162.98 179.41 7.58 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 104.505 -2.405 . . . . 25.0 104.505 -177.511 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -133.9 160.36 37.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 174.419 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 C--N 1.321 -0.641 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 179.335 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 120.7 0.286 . . . . 25.0 111.211 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -59.92 -41.02 90.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 179.774 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -64.12 -39.26 93.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.647 -177.141 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.3 m -83.44 -12.23 56.63 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 178.757 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -87.66 -47.58 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.861 0.362 . . . . 25.0 110.589 177.148 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -79.93 -22.51 42.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.05 -0.406 . . . . 25.0 111.051 -178.536 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.48 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.6 t -135.05 -173.3 3.28 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 178.876 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.3 mm -84.61 -35.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -166.171 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 m 61.56 -164.94 0.23 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -169.731 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.9 p -155.22 170.61 21.46 Favored 'General case' 0 CA--C 1.509 -0.596 0 N-CA-C 105.287 -2.116 . . . . 25.0 105.287 179.464 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -59.34 -33.44 71.15 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 118.088 0.403 . . . . 25.0 111.248 -179.712 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -66.6 -37.66 85.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.471 0.653 . . . . 25.0 111.48 179.958 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.41 -38.14 77.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 177.356 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.89 -32.14 73.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.632 -0.713 . . . . 25.0 112.664 178.985 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -55.36 -27.84 49.97 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.694 0.628 . . . . 25.0 112.694 177.817 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -61.19 -28.26 69.01 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.891 0.7 . . . . 25.0 112.891 179.114 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -68.56 -19.75 64.5 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.23 -0.294 . . . . 25.0 110.636 -179.938 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.5 p -131.61 41.84 3.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.288 1.042 . . . . 25.0 108.998 178.348 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.7 t30 . . . . . 0 C--O 1.214 -0.782 0 CA-C-O 124.718 2.199 . . . . 25.0 111.979 179.427 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.918 -0.563 . . . . 25.0 109.605 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -138.51 142.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 178.444 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -66.48 128.26 35.51 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.751 0.31 . . . . 25.0 111.592 -176.495 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -160.12 146.79 15.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.448 -2.056 . . . . 25.0 105.448 175.947 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 71.8 m-70 -71.81 145.12 48.87 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 172.189 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 49.2 mt -128.77 105.53 8.31 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 -173.531 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.4 m -115.56 -62.97 1.52 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -179.016 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.96 -131.2 3.99 Favored Glycine 0 C--O 1.225 -0.41 0 CA-C-N 116.145 -0.48 . . . . 25.0 112.849 -177.591 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -25.63 30.12 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 179.189 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -56.69 -39.3 73.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.164 -0.335 . . . . 25.0 111.667 175.881 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.86 -40.79 88.0 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -179.113 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.54 -43.23 98.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.316 178.804 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -66.24 -31.37 72.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.985 -0.447 . . . . 25.0 111.513 179.445 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.39 72.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 177.891 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.49 -32.43 74.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.21 0.448 . . . . 25.0 112.21 -179.881 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -58.1 -39.35 78.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.876 0.37 . . . . 25.0 110.663 175.585 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.79 -44.35 64.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 179.499 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.55 -43.82 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.118 0.485 . . . . 25.0 111.716 -172.533 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.0 m -84.81 -12.8 52.86 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 -178.832 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 51.96 -137.96 31.36 Favored Glycine 0 C--O 1.228 -0.267 0 CA-C-O 122.542 1.079 . . . . 25.0 115.186 174.313 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -70.28 -11.9 61.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -176.806 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.09 -19.77 50.4 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.247 -0.283 . . . . 25.0 110.358 -176.705 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.75 176.89 50.96 Favored Glycine 0 C--O 1.229 -0.183 0 C-N-CA 120.97 -0.633 . . . . 25.0 111.973 -179.944 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -163.41 177.73 8.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 -177.555 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -135.82 165.94 24.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 174.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 t80 . . . . . 0 C--N 1.321 -0.66 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 178.538 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 120.263 0.077 . . . . 25.0 111.14 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.66 -42.62 77.68 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 178.438 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -63.03 -28.31 70.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.757 -178.323 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.8 m -85.95 -29.44 23.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 173.711 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -51.06 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.265 1.209 . . . . 25.0 114.265 -175.071 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -88.01 -19.27 27.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.463 0.649 . . . . 25.0 110.367 -174.348 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.429 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.5 p -140.63 -177.23 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 -179.515 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 mm -92.76 129.94 42.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 -175.976 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.0 p -110.02 139.06 45.56 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.745 -1.946 . . . . 25.0 105.745 172.201 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -79.84 170.87 15.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.549 -0.537 . . . . 25.0 109.549 -176.022 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.79 -29.43 68.2 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 116.842 -0.163 . . . . 25.0 111.27 178.555 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -67.77 -36.82 81.17 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 121.344 0.592 . . . . 25.0 110.867 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -69.47 -38.98 77.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 177.002 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.1 -33.57 74.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 25.0 112.274 178.053 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -55.91 -24.51 38.03 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.486 0.921 . . . . 25.0 113.486 178.709 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -64.04 -27.04 68.84 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 178.186 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -77.1 -12.86 60.0 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 179.229 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.26 154.06 41.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.705 1.24 . . . . 25.0 112.31 -172.378 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t30 . . . . . 0 C--O 1.216 -0.698 0 CA-C-O 123.788 1.756 . . . . 25.0 110.586 175.276 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.843 -0.598 . . . . 25.0 109.661 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.7 136.07 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 179.51 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -78.49 127.52 32.28 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.182 0.515 . . . . 25.0 111.206 -176.002 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -159.76 150.6 19.28 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 104.202 -2.518 . . . . 25.0 104.202 173.001 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.3 m-70 -72.01 145.96 47.99 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 170.734 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.54 113.77 19.75 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.721 0.408 . . . . 25.0 111.395 -177.039 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 99.7 m -132.48 152.5 51.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 175.409 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.63 -131.28 43.26 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.984 175.437 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.4 t -59.39 -32.49 70.19 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -33.99 76.27 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.326 -0.859 . . . . 25.0 111.225 179.347 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.2 tp -67.8 -42.95 80.8 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 178.01 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.32 -42.79 97.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.592 178.295 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.59 -36.4 83.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.884 0.373 . . . . 25.0 110.836 -179.484 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.03 -39.05 72.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.239 0.542 . . . . 25.0 109.806 -179.966 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.73 -29.39 69.36 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -177.597 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -58.65 -40.07 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.119 174.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.89 -45.57 60.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 179.582 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -72.7 -43.53 61.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.131 0.491 . . . . 25.0 111.161 -173.225 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m -85.1 -16.11 41.68 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.223 -0.298 . . . . 25.0 111.27 -178.417 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.89 -134.02 22.44 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-O 122.188 0.882 . . . . 25.0 114.182 177.802 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -69.6 -15.07 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 114.287 1.217 . . . . 25.0 114.287 -177.325 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.41 -23.14 60.11 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.916 0.389 . . . . 25.0 110.118 -178.039 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.99 174.92 47.69 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.598 -0.601 . . . . 25.0 111.598 -179.577 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -160.79 176.14 11.81 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 -177.827 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -137.04 163.17 31.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.539 -1.652 . . . . 25.0 106.539 178.119 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.322 -0.615 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 177.747 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.674 -0.57 . . . . 25.0 111.674 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.7 tt -62.86 -29.22 46.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.54 -39.93 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 121.918 -0.489 . . . . 25.0 110.495 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -62.58 -41.36 98.89 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.914 -0.491 . . . . 25.0 111.39 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.37 -40.89 83.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.834 0.35 . . . . 25.0 110.338 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -79.77 -30.63 40.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.1 m -73.91 -47.88 34.74 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.685 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 t -88.16 -17.53 30.73 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.4 t -143.27 -168.67 2.86 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mt -107.18 105.49 18.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.537 0.684 . . . . 25.0 111.096 -169.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 m -74.08 122.4 22.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.0 p -75.75 169.87 17.28 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.573 -1.64 . . . . 25.0 106.573 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.92 -27.9 65.71 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 122.268 -0.27 . . . . 25.0 111.447 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -67.69 -38.87 84.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.904 0.383 . . . . 25.0 110.897 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -70.3 -39.15 75.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.498 -0.773 . . . . 25.0 112.879 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -52.19 -30.98 29.61 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.317 0.858 . . . . 25.0 113.317 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -60.82 -26.89 67.65 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.802 1.038 . . . . 25.0 113.802 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -71.67 -4.85 29.66 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 111.989 0.366 . . . . 25.0 111.989 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 p -143.39 -178.33 5.82 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.735 0.779 . . . . 25.0 110.409 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--O 1.212 -0.917 0 CA-C-O 122.852 1.311 . . . . 25.0 111.961 178.732 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.689 -0.486 . . . . 25.0 109.689 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.2 t -113.09 130.91 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 107.335 -1.358 . . . . 25.0 107.335 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -73.94 135.55 43.25 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.661 0.744 . . . . 25.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -160.32 148.86 16.85 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 105.096 -2.187 . . . . 25.0 105.096 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 81.9 m-70 -66.96 141.47 57.6 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.691 -1.966 . . . . 25.0 105.691 167.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.8 mt -126.76 105.41 8.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.205 0.526 . . . . 25.0 111.899 -172.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.75 157.18 46.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.68 -141.09 47.48 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.627 -0.797 . . . . 25.0 112.282 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -59.91 -28.86 67.95 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.087 0.773 . . . . 25.0 113.087 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -61.55 -40.44 94.7 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.757 -0.589 . . . . 25.0 110.285 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.63 -43.5 89.33 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.08 -46.39 96.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.893 0.377 . . . . 25.0 111.195 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -69.36 -28.65 66.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.666 -0.646 . . . . 25.0 112.147 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.06 74.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.45 -32.79 74.6 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.856 0.687 . . . . 25.0 112.856 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -56.97 -42.03 79.41 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.982 0.42 . . . . 25.0 110.028 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.8 -44.04 64.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.5 t -73.07 -40.9 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 25.0 110.89 -173.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.5 m -83.44 -22.3 32.67 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.649 -0.42 . . . . 25.0 111.126 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.28 -143.01 48.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.461 -0.876 . . . . 25.0 112.753 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.01 -9.27 37.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.338 1.236 . . . . 25.0 114.338 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -70.62 -22.59 62.51 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.998 -0.439 . . . . 25.0 111.192 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.81 178.88 47.27 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 109.501 -1.44 . . . . 25.0 109.501 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -160.55 176.25 11.8 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.394 -1.336 . . . . 25.0 107.394 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -134.0 168.1 19.41 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -135.73 152.7 51.41 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.97 88.0 16.26 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-O 121.546 0.688 . . . . 25.0 109.568 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.3 164.79 30.46 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 120.944 1.096 . . . . 25.0 111.128 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -142.41 106.06 4.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 122.394 1.092 . . . . 25.0 110.765 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.211 -0.95 0 CA-C-O 125.166 2.413 . . . . 25.0 111.147 179.424 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.044 0 CA-C-O 118.943 -0.92 . . . . 25.0 111.731 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.2 tt -65.74 -36.52 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.818 1.309 . . . . 25.0 112.8 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.15 -40.83 88.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -58.54 -42.59 88.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.641 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -64.02 -39.99 95.33 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 121.015 -0.274 . . . . 25.0 111.461 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.0 m -73.28 -31.85 64.31 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.141 -0.623 . . . . 25.0 111.471 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.3 m -71.72 -45.21 62.5 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.979 -0.288 . . . . 25.0 111.406 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 t -88.03 -21.71 24.62 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.6 t -140.18 -172.58 3.45 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.049 -0.407 . . . . 25.0 110.39 -175.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mm -94.82 111.12 24.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 O-C-N 121.653 -0.654 . . . . 25.0 111.295 -170.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 m -90.0 111.82 23.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -74.37 170.63 15.25 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.792 -1.188 . . . . 25.0 107.792 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.68 -30.23 65.3 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 112.38 0.511 . . . . 25.0 112.38 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -68.88 -38.92 80.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.255 0.55 . . . . 25.0 111.061 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -68.41 -37.8 80.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.13 -34.37 78.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.56 -0.745 . . . . 25.0 112.421 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.11 -23.52 55.21 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.1 -27.0 68.62 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 122.037 -0.415 . . . . 25.0 112.038 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -74.4 -19.09 60.55 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.063 -0.398 . . . . 25.0 110.728 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 95.3 m -83.47 73.93 10.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.507 0.67 . . . . 25.0 109.347 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 . . . . . 0 N--CA 1.481 1.096 0 C-N-CA 125.769 1.628 . . . . 25.0 114.81 179.49 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 21.1 t80 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.933 -0.556 . . . . 25.0 109.707 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 68.4 t -124.31 127.59 73.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 107.056 -1.461 . . . . 25.0 107.056 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -69.13 130.25 42.17 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 109.891 -0.411 . . . . 25.0 109.891 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -159.7 151.66 20.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.894 -2.261 . . . . 25.0 104.894 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 63.1 m-70 -69.13 144.75 53.79 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 106.645 -1.613 . . . . 25.0 106.645 170.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -127.11 105.82 8.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.078 0.466 . . . . 25.0 110.832 -173.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -138.02 160.0 40.54 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.53 -139.25 48.36 Favored Glycine 0 CA--C 1.516 0.111 0 C-N-CA 120.737 -0.744 . . . . 25.0 111.655 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -30.49 68.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -62.83 -33.3 74.95 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.839 -0.538 . . . . 25.0 111.216 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.98 -48.03 72.6 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.72 -0.392 . . . . 25.0 110.802 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.13 -29.42 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.174 -0.61 . . . . 25.0 111.169 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -64.07 -39.93 95.16 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.22 82.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.083 -0.34 . . . . 25.0 110.083 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.91 -31.41 72.63 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -61.01 -37.66 83.33 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.173 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.85 -43.3 65.73 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.304 0.483 . . . . 25.0 112.304 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.6 t -73.09 -42.67 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 121.116 0.484 . . . . 25.0 111.505 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.71 -20.9 35.17 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.175 -0.61 . . . . 25.0 110.51 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.72 -156.71 52.47 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.483 -0.865 . . . . 25.0 111.849 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.58 -6.35 10.75 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -69.46 -23.93 63.73 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.972 -0.455 . . . . 25.0 110.41 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.19 172.53 44.7 Favored Glycine 0 C--O 1.225 -0.457 0 N-CA-C 111.599 -0.601 . . . . 25.0 111.599 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -158.27 175.87 13.19 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 104.281 -2.489 . . . . 25.0 104.281 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -131.41 162.68 29.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -141.87 141.74 33.08 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 105.95 -1.87 . . . . 25.0 105.95 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.8 p -120.76 94.9 49.01 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -70.18 156.18 62.86 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 117.996 -0.869 . . . . 25.0 109.851 175.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -140.0 140.36 36.23 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.207 -1.154 0 CA-C-O 123.777 1.751 . . . . 25.0 113.741 -178.312 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 111.573 -0.611 . . . . 25.0 111.573 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt -62.21 -33.94 61.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 117.5 0.65 . . . . 25.0 112.282 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.92 -33.47 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 122.131 -0.355 . . . . 25.0 111.637 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -65.23 -40.78 94.51 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 121.368 -0.832 . . . . 25.0 111.061 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.36 -41.29 93.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.175 0.512 . . . . 25.0 110.067 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 m -75.29 -29.58 60.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -72.67 -50.13 26.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.874 0.369 . . . . 25.0 110.584 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -87.98 -24.15 23.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -132.89 179.07 6.4 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 122.087 -0.383 . . . . 25.0 110.906 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -70.04 117.45 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.778 0.799 . . . . 25.0 111.396 -167.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 t -92.42 83.23 4.95 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.6 p -71.41 168.82 16.64 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -58.13 -29.58 65.65 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 122.188 -0.32 . . . . 25.0 111.776 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -69.52 -38.2 77.44 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 121.36 0.6 . . . . 25.0 110.942 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -68.34 -39.37 81.92 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 109.017 -0.735 . . . . 25.0 109.017 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.55 -36.86 85.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.945 -0.57 . . . . 25.0 111.673 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.25 -26.37 66.4 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -67.42 -26.97 66.68 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.099 0.407 . . . . 25.0 112.099 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -76.48 -15.99 59.77 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.419 0.628 . . . . 25.0 109.78 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.83 114.5 21.68 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -175.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 115.057 1.503 . . . . 25.0 115.057 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 81.9 t80 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 119.199 -0.429 . . . . 25.0 109.944 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.8 t -116.67 118.15 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -66.17 135.45 54.55 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 120.97 0.414 . . . . 25.0 110.495 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -160.3 159.09 30.88 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 104.608 -2.367 . . . . 25.0 104.608 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -68.39 140.79 55.85 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 168.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -133.27 119.45 19.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.969 0.414 . . . . 25.0 110.23 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 t -142.53 156.68 45.16 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.81 -143.11 48.39 Favored Glycine 0 CA--C 1.516 0.104 0 C-N-CA 120.655 -0.783 . . . . 25.0 111.884 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.14 -28.13 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.404 0.891 . . . . 25.0 113.404 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -36.27 78.09 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.192 -0.317 . . . . 25.0 110.871 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 51.5 tp -66.21 -44.17 84.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.678 -0.489 . . . . 25.0 109.678 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.74 -42.15 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.859 -0.61 . . . . 25.0 110.709 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -63.35 -34.27 77.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.98 0.419 . . . . 25.0 111.136 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.8 61.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.532 -0.304 . . . . 25.0 110.653 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 mt -65.27 -31.11 72.09 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.743 0.275 . . . . 25.0 111.743 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -61.62 -35.33 77.58 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.741 -0.384 . . . . 25.0 110.567 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -71.87 -42.57 66.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.141 0.496 . . . . 25.0 112.275 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -78.51 -41.53 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.946 -0.57 . . . . 25.0 111.254 -172.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.2 m -80.57 -20.22 43.85 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.767 -0.373 . . . . 25.0 110.394 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.48 -144.85 47.5 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.138 -1.029 . . . . 25.0 111.06 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -64.68 -18.3 64.86 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.715 1.376 . . . . 25.0 114.715 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -70.53 -17.59 62.94 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.239 0.829 . . . . 25.0 113.239 -176.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.59 178.96 50.72 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.97 -0.633 . . . . 25.0 113.153 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -163.56 179.1 7.47 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -136.63 168.56 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.416 -1.327 . . . . 25.0 107.416 173.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -142.75 150.67 40.38 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.189 -2.152 . . . . 25.0 105.189 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 45.3 p -113.26 84.94 7.88 Favored Pre-proline 0 C--O 1.241 0.642 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.23 168.23 22.04 Favored 'Trans proline' 0 C--N 1.344 0.3 0 N-CA-C 111.131 -0.373 . . . . 25.0 111.131 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -130.26 106.73 8.77 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 174.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.213 -0.833 0 CA-C-O 125.133 2.397 . . . . 25.0 112.149 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.559 0 CA-C-O 118.721 -1.044 . . . . 25.0 111.349 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -61.67 -36.42 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 118.719 1.259 . . . . 25.0 113.346 -171.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 t -68.18 -40.42 82.81 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.672 0 O-C-N 121.532 -0.73 . . . . 25.0 109.894 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -61.81 -43.66 98.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.044 -0.526 . . . . 25.0 109.782 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -67.42 -38.14 84.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.293 -0.412 . . . . 25.0 110.724 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.1 m -73.04 -22.11 60.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.856 0.688 . . . . 25.0 112.856 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -84.32 -46.17 12.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.147 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -82.26 -23.58 35.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.021 0.378 . . . . 25.0 112.021 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.442 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.2 t -137.7 -178.41 5.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.871 -0.518 . . . . 25.0 109.864 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -75.44 120.96 26.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.731 0.777 . . . . 25.0 111.073 -168.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HB3' HD12 ' B' ' 6' ' ' LEU . 6.7 t -87.74 77.46 8.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.318 -0.856 . . . . 25.0 109.272 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.8 m -64.3 159.69 20.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.885 -0.598 . . . . 25.0 109.817 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -53.42 -29.04 33.07 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.03 -38.0 89.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.364 0.602 . . . . 25.0 111.564 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -74.53 -38.9 62.65 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.7 mt -59.9 -36.88 77.9 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.828 -0.624 . . . . 25.0 111.994 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -56.92 -31.85 65.35 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.54 -26.94 67.37 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.015 0.746 . . . . 25.0 113.015 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -69.4 -21.87 63.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.232 0.539 . . . . 25.0 110.24 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 m -88.06 133.02 34.07 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 t30 . . . . . 0 N--CA 1.482 1.156 0 C-N-CA 125.287 1.435 . . . . 25.0 114.377 -176.169 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.3 t -123.56 133.49 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 106.623 -1.621 . . . . 25.0 106.623 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -74.46 132.58 42.04 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 119.886 -0.726 . . . . 25.0 110.637 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -160.23 147.91 16.43 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.937 -1.875 . . . . 25.0 105.937 170.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.0 m-70 -68.91 145.17 53.89 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 168.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 11' ' ' CYS . 89.6 mt -133.22 125.47 29.45 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -136.75 160.3 39.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.995 -0.743 . . . . 25.0 108.995 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.82 -134.44 43.56 Favored Glycine 0 C--O 1.227 -0.284 0 N-CA-C 114.606 0.602 . . . . 25.0 114.606 172.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -60.47 -31.91 70.9 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -63.9 -36.97 85.7 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.868 -0.52 . . . . 25.0 110.652 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.27 -42.5 83.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.8 -41.64 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.13 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -63.06 -33.01 74.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.003 0.43 . . . . 25.0 111.018 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.34 -34.09 63.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.737 0.303 . . . . 25.0 110.97 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.7 mt -64.71 -33.31 75.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.67 0.248 . . . . 25.0 111.67 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -57.65 -39.97 78.23 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 120.856 0.36 . . . . 25.0 110.481 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -72.02 -45.13 62.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -72.18 -42.94 66.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.055 -0.521 . . . . 25.0 111.493 -171.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.9 m -95.2 -11.42 28.1 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.132 -0.627 . . . . 25.0 111.478 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.84 -147.1 44.15 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.413 -0.899 . . . . 25.0 113.968 174.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -67.38 -6.47 19.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -72.97 -19.42 61.23 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 122.23 -0.294 . . . . 25.0 110.32 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.74 174.08 50.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.66 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -165.53 176.89 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.404 -2.073 . . . . 25.0 105.404 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -134.49 167.58 20.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.252 -1.018 . . . . 25.0 108.252 172.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -141.51 148.18 38.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.761 -1.94 . . . . 25.0 105.761 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 38.5 p -107.76 91.65 7.75 Favored Pre-proline 0 C--O 1.24 0.578 0 CA-C-O 120.911 0.386 . . . . 25.0 111.894 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -75.09 158.68 41.71 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 117.676 -1.082 . . . . 25.0 111.625 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -85.87 85.84 7.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 C--O 1.211 -0.93 0 CA-C-O 124.871 2.272 . . . . 25.0 112.28 -179.593 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.585 -0.606 . . . . 25.0 111.585 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -64.2 -32.44 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 113.118 0.785 . . . . 25.0 113.118 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.37 -33.11 60.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 O-C-N 121.773 -0.58 . . . . 25.0 110.77 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -67.03 -45.53 77.19 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.407 -0.808 . . . . 25.0 110.201 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -57.95 -42.31 84.66 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.19 -0.3 . . . . 25.0 110.19 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 t -77.24 -29.16 53.95 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.84 -45.22 21.26 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.855 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -88.0 -22.86 24.03 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.7 m -136.28 175.39 9.65 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 110.151 -0.315 . . . . 25.0 110.151 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mm -76.75 125.92 36.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 O-C-N 121.705 -0.622 . . . . 25.0 109.784 -171.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -104.48 108.13 19.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 172.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 p -73.19 173.06 9.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.035 -1.468 . . . . 25.0 107.035 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.75 -31.61 64.76 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -66.81 -38.83 87.23 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.942 -0.474 . . . . 25.0 111.375 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -66.54 -39.59 88.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.77 -36.49 83.7 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.477 -0.783 . . . . 25.0 112.535 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -55.14 -27.56 46.3 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.396 0.888 . . . . 25.0 113.396 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -63.18 -26.81 68.98 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -74.28 -2.71 26.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 122.431 0.292 . . . . 25.0 110.935 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 m -115.52 146.97 41.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.388 0.613 . . . . 25.0 110.418 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.7 t30 . . . . . 0 C--O 1.207 -1.158 0 CA-C-O 124.63 2.157 . . . . 25.0 113.299 -179.264 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 119.251 -0.404 . . . . 25.0 109.945 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.9 t -97.7 112.28 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.732 -1.211 . . . . 25.0 107.732 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -68.74 131.92 45.96 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 121.175 0.512 . . . . 25.0 110.656 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -160.14 158.45 30.22 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 103.926 -2.62 . . . . 25.0 103.926 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -75.92 149.6 37.69 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 105.752 -1.944 . . . . 25.0 105.752 166.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.53 129.89 48.18 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.652 0.66 . . . . 25.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 98.1 m -140.16 159.99 40.94 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.2 -140.53 46.55 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 121.113 -0.565 . . . . 25.0 113.306 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -30.88 68.43 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -62.78 -31.82 72.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.046 -0.409 . . . . 25.0 111.115 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.9 -48.03 64.35 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.128 -0.229 . . . . 25.0 110.969 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.32 -29.27 38.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 119.68 -0.808 . . . . 25.0 110.721 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -62.81 -40.91 98.83 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.898 -0.501 . . . . 25.0 110.21 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.75 87.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.894 0.378 . . . . 25.0 110.251 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.55 -34.62 78.67 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.143 0.423 . . . . 25.0 112.143 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -61.61 -36.37 80.53 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.84 -48.09 48.5 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.02 -41.82 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.189 0.518 . . . . 25.0 111.074 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 78.3 m -101.85 -8.51 21.56 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.174 0.805 . . . . 25.0 113.174 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.36 -141.57 41.09 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.024 -1.084 . . . . 25.0 114.038 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.48 -9.19 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 115.604 1.705 . . . . 25.0 115.604 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -75.32 -12.31 60.24 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.179 0.899 . . . . 25.0 111.781 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.24 177.43 51.7 Favored Glycine 0 C--O 1.237 0.292 0 C-N-CA 121.144 -0.55 . . . . 25.0 112.325 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -163.03 177.32 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -130.18 166.02 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -140.43 143.42 35.58 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.891 -0.506 . . . . 25.0 110.226 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 46.2 p -105.09 95.96 10.28 Favored Pre-proline 0 C--O 1.241 0.613 0 CA-C-N 116.023 -0.535 . . . . 25.0 110.2 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.96 167.54 26.84 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 118.036 -0.843 . . . . 25.0 112.07 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -83.18 90.45 7.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.2 -1.037 . . . . 25.0 108.2 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 C--O 1.214 -0.803 0 CA-C-O 124.91 2.29 . . . . 25.0 111.854 -178.187 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.013 0 N-CA-C 111.309 -0.717 . . . . 25.0 111.309 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -57.72 -37.0 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -170.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 p -63.23 -38.28 81.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 121.596 -0.69 . . . . 25.0 111.277 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -68.19 -37.51 81.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.714 -0.616 . . . . 25.0 110.274 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -62.28 -42.23 99.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.231 -0.44 . . . . 25.0 110.759 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.61 -22.41 47.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.139 0.422 . . . . 25.0 112.139 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.5 t -74.18 -49.97 21.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.743 0.306 . . . . 25.0 110.704 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -88.12 -21.65 24.54 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.305 0.854 . . . . 25.0 113.305 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.498 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 51.8 m -134.96 -173.86 3.43 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mt -106.9 107.25 22.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.309 0.576 . . . . 25.0 111.659 -169.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 66.1 m -80.84 119.51 23.5 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 173.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 p -73.57 168.7 18.78 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 174.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.32 -32.38 64.59 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 111.983 0.364 . . . . 25.0 111.983 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -64.33 -37.75 88.62 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.479 0.656 . . . . 25.0 111.618 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -72.89 -37.41 67.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.012 177.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.44 -32.23 73.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.981 -0.554 . . . . 25.0 112.005 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.94 -25.68 31.15 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.067 0.765 . . . . 25.0 113.067 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -61.16 -30.03 70.15 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.911 0.708 . . . . 25.0 112.911 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -66.41 -17.13 64.61 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.137 0.494 . . . . 25.0 110.934 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 p -137.46 44.0 2.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.317 1.056 . . . . 25.0 108.698 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.0 t30 . . . . . 0 C--O 1.209 -1.058 0 CA-C-O 123.787 1.756 . . . . 25.0 112.552 -179.172 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.3 t80 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.885 -0.578 . . . . 25.0 109.822 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.8 t -120.43 125.07 73.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.64 130.15 41.03 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 120.845 0.355 . . . . 25.0 110.738 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -159.92 150.36 18.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 105.325 -2.102 . . . . 25.0 105.325 175.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.5 m-70 -66.97 142.13 57.36 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 169.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -125.44 105.45 9.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.265 0.555 . . . . 25.0 110.677 -174.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -138.86 157.8 45.38 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.03 -143.52 48.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.53 -0.843 . . . . 25.0 111.116 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -28.61 67.23 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.515 0.932 . . . . 25.0 113.515 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.36 -37.04 79.44 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.978 -0.452 . . . . 25.0 111.219 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.89 -43.71 87.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 25.0 109.938 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.32 -43.56 94.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.456 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -63.56 -36.22 83.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 25.0 110.735 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.71 76.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.876 0.369 . . . . 25.0 110.191 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.06 -30.46 71.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.773 0.657 . . . . 25.0 112.773 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -60.36 -38.74 84.79 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.372 -0.531 . . . . 25.0 110.316 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.81 -44.59 63.67 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.439 0.533 . . . . 25.0 112.439 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -75.48 -40.69 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.046 -0.525 . . . . 25.0 111.616 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -82.68 -15.83 50.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.521 -0.309 . . . . 25.0 110.764 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.16 -157.95 52.3 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-O 121.9 0.722 . . . . 25.0 112.115 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -67.45 -6.3 18.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -67.11 -26.16 66.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.722 0.296 . . . . 25.0 111.116 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.63 -177.24 53.48 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 110.542 -1.023 . . . . 25.0 110.542 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -162.77 -179.55 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.836 -1.913 . . . . 25.0 105.836 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -133.23 167.64 20.0 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -131.37 149.14 52.66 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.746 -1.576 . . . . 25.0 106.746 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.22 90.99 21.84 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 121.292 0.568 . . . . 25.0 109.726 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -78.25 170.39 18.67 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 121.403 1.402 . . . . 25.0 111.566 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -117.94 97.24 5.72 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 122.288 1.042 . . . . 25.0 108.985 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.206 -1.199 0 CA-C-O 123.822 1.772 . . . . 25.0 113.15 -178.295 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 N-CA-C 111.322 -0.711 . . . . 25.0 111.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 tt -60.34 -34.66 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 -171.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.87 -43.14 97.73 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -68.33 -39.43 81.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.196 -0.315 . . . . 25.0 110.513 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -58.21 -37.91 75.76 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.059 0.224 . . . . 25.0 111.549 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.8 m -86.51 -29.59 22.61 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -79.34 -55.6 4.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -174.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -88.07 -20.39 25.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.049 0.452 . . . . 25.0 111.484 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.461 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 50.4 m -133.55 -164.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.543 -1.28 . . . . 25.0 107.543 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mt -119.23 115.16 46.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -174.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -94.54 154.06 17.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.8 p -85.24 167.33 15.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.8 0.333 . . . . 25.0 110.501 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.53 -28.0 68.07 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.089 0.403 . . . . 25.0 112.089 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -67.2 -37.96 84.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -70.25 -38.41 75.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.355 -0.609 . . . . 25.0 109.355 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.2 mt -60.09 -35.96 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.492 0.553 . . . . 25.0 112.492 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.02 -26.7 60.71 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.238 0.829 . . . . 25.0 113.238 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -63.86 -27.06 68.9 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.886 0.698 . . . . 25.0 112.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -65.89 -27.86 68.52 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.036 0.446 . . . . 25.0 109.848 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.0 m -87.1 51.28 2.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.27 1.033 . . . . 25.0 109.947 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 124.791 2.234 . . . . 25.0 112.372 -177.511 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 119.008 -0.52 . . . . 25.0 109.838 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.6 t -107.47 119.76 57.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -74.34 129.43 37.78 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 120.421 -0.512 . . . . 25.0 110.912 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -159.67 155.52 26.24 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 103.279 -2.86 . . . . 25.0 103.279 172.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 76.8 m-70 -68.16 138.12 55.42 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 106.82 -1.548 . . . . 25.0 106.82 170.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 67.2 mt -126.35 105.3 8.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.289 0.566 . . . . 25.0 111.281 -172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -139.21 157.22 46.31 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.43 -137.94 47.26 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.571 -0.823 . . . . 25.0 112.128 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 43.6 p -61.21 -28.55 69.23 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -64.2 -37.18 86.54 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 121.672 -0.642 . . . . 25.0 110.537 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.87 -40.04 87.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.38 -42.95 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.033 0.444 . . . . 25.0 110.453 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -65.54 -31.77 73.0 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.892 -0.505 . . . . 25.0 111.36 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.39 75.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.957 -0.465 . . . . 25.0 109.943 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.2 -32.6 74.35 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.088 0.403 . . . . 25.0 112.088 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -56.51 -43.53 79.83 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 120.958 0.409 . . . . 25.0 110.132 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.87 -44.23 64.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.229 0.826 . . . . 25.0 113.229 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 82.8 t -72.28 -43.32 65.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.73 -172.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -91.62 -12.87 33.01 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.22 -0.592 . . . . 25.0 110.762 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.69 -147.41 49.94 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-O 122.246 0.915 . . . . 25.0 114.429 172.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.19 -6.33 17.51 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -71.01 -21.95 62.22 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.848 0.356 . . . . 25.0 110.557 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.69 175.92 51.14 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.276 -1.129 . . . . 25.0 110.276 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -167.46 177.12 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.333 -1.358 . . . . 25.0 107.333 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -137.28 165.38 26.3 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.344 -1.724 . . . . 25.0 106.344 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -144.82 143.0 30.41 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -105.63 95.75 10.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.988 0.423 . . . . 25.0 110.765 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.83 153.98 48.27 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 117.045 -1.503 . . . . 25.0 112.264 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -87.2 92.46 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.206 -1.234 0 CA-C-O 123.707 1.718 . . . . 25.0 113.597 -178.567 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.833 0 CA-C-O 118.93 -0.928 . . . . 25.0 111.607 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.5 tt -67.11 -36.17 76.26 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 118.862 1.331 . . . . 25.0 114.205 -175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.2 -35.87 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 121.193 -0.942 . . . . 25.0 109.134 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -64.77 -42.91 94.74 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 122.056 -0.402 . . . . 25.0 110.021 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -58.79 -45.05 90.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.719 0.295 . . . . 25.0 111.048 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.2 m -74.65 -25.14 59.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.3 t -83.41 -45.61 13.48 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -81.04 -24.19 38.05 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.08 -0.387 . . . . 25.0 111.939 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.47 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 60.2 m -143.41 -177.68 5.5 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 121.765 -0.585 . . . . 25.0 109.962 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.7 mm -86.3 134.21 27.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 -174.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.6 p -124.0 141.03 52.4 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 173.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.4 p -89.41 173.88 8.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.337 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.67 -28.59 65.88 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 112.273 0.472 . . . . 25.0 112.273 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -69.71 -35.51 75.11 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.372 0.606 . . . . 25.0 110.729 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -72.72 -33.49 66.46 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.92 -35.12 80.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.606 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -56.22 -25.24 46.65 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -61.24 -26.8 67.99 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -73.31 1.77 8.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.736 0.414 . . . . 25.0 111.494 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -116.79 147.07 42.41 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 124.382 2.039 . . . . 25.0 111.285 178.602 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.8 t80 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 118.939 -0.553 . . . . 25.0 109.684 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -114.03 127.84 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 107.439 -1.319 . . . . 25.0 107.439 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -75.98 126.69 31.48 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 120.636 -0.425 . . . . 25.0 110.303 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -160.03 148.04 16.84 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 105.647 -1.983 . . . . 25.0 105.647 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.47 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.9 m-70 -69.61 144.6 52.95 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 170.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.1 mt -129.35 105.26 8.0 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 122.833 0.453 . . . . 25.0 109.918 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 62.5 m -110.14 -71.89 0.74 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.682 0.993 . . . . 25.0 113.682 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.08 -117.13 2.02 Favored Glycine 0 C--O 1.225 -0.433 0 CA-C-N 116.193 -0.458 . . . . 25.0 113.258 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 18.0 p -56.69 -31.89 64.9 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -58.04 -38.07 75.56 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.029 0.381 . . . . 25.0 112.029 177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 29.2 tp -68.77 -41.96 78.12 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 109.532 -0.544 . . . . 25.0 109.532 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.55 -44.64 96.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.195 0.521 . . . . 25.0 110.425 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.02 -34.27 77.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 25.0 110.833 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.18 76.07 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.58 -32.37 73.66 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -59.05 -37.94 78.2 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 110.207 -0.294 . . . . 25.0 110.207 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.94 -46.01 59.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.2 t -72.0 -44.06 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 25.0 111.918 -171.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.49 -9.89 39.77 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.05 -0.66 . . . . 25.0 111.41 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.99 -145.73 45.8 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.103 -1.046 . . . . 25.0 113.073 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -70.73 -8.15 50.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 115.279 1.585 . . . . 25.0 115.279 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -74.71 -15.1 60.8 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.094 0.861 . . . . 25.0 112.116 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.21 173.54 48.57 Favored Glycine 0 C--O 1.228 -0.229 0 C-N-CA 121.118 -0.563 . . . . 25.0 111.714 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -164.46 178.67 7.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -129.05 160.26 33.34 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -104.04 154.61 19.49 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.723 -1.954 . . . . 25.0 105.723 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 40.8 p -104.27 93.52 5.78 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 109.72 -0.474 . . . . 25.0 109.72 177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -76.83 -178.75 4.78 Favored 'Trans proline' 0 C--N 1.351 0.664 0 CA-C-O 121.254 0.439 . . . . 25.0 112.533 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -117.89 97.48 5.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.214 -0.77 0 CA-C-O 124.698 2.189 . . . . 25.0 111.366 -179.029 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 CA-C-O 119.245 -0.753 . . . . 25.0 111.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -62.42 -33.6 60.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 -172.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.68 -31.92 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 121.836 -0.54 . . . . 25.0 112.342 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.13 -33.12 72.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.98 0.363 . . . . 25.0 111.98 -177.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.97 -25.91 67.9 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.9 m -110.31 2.87 19.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.935 0.398 . . . . 25.0 111.593 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -109.27 -51.28 2.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.413 0.523 . . . . 25.0 112.413 -175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -78.32 -20.96 50.33 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.292 0.568 . . . . 25.0 110.379 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -143.05 165.95 25.97 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 102.031 -3.322 . . . . 25.0 102.031 174.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' H ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.63 157.9 3.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 178.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -131.61 157.74 42.87 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 104.584 -2.376 . . . . 25.0 104.584 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.8 p -84.46 169.49 14.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.882 0.372 . . . . 25.0 110.759 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.48 -27.84 67.88 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 121.105 0.479 . . . . 25.0 111.341 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -68.47 -34.87 76.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.535 0.683 . . . . 25.0 110.048 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -73.26 -35.43 66.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.745 -0.661 . . . . 25.0 110.056 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.54 -32.09 72.98 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 116.032 -0.531 . . . . 25.0 111.492 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.17 -23.66 49.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.529 0.937 . . . . 25.0 113.529 177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -66.3 -29.41 69.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.301 0.572 . . . . 25.0 111.839 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -74.45 -20.19 60.12 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.8 m -80.54 48.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t30 . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 123.772 1.749 . . . . 25.0 114.649 -179.015 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.3 t80 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 119.095 -0.479 . . . . 25.0 109.744 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 77.3 t -126.19 127.19 70.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -73.36 129.01 37.1 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -158.04 147.58 19.78 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 104.711 -2.329 . . . . 25.0 104.711 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -63.77 111.45 2.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.21 -0.45 . . . . 25.0 110.589 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.1 mt -125.3 138.91 54.08 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -153.31 163.02 40.66 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.965 -1.494 . . . . 25.0 106.965 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.98 -140.6 44.01 Favored Glycine 0 N--CA 1.453 -0.188 0 N-CA-C 110.757 -0.937 . . . . 25.0 110.757 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.3 p -58.42 -29.87 66.44 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.448 0.536 . . . . 25.0 112.448 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -70.65 -28.31 64.71 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.519 -0.738 . . . . 25.0 112.456 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 tp -73.61 -37.69 65.32 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.2 t -61.26 -39.26 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.206 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -63.47 -34.87 78.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.013 -0.429 . . . . 25.0 110.815 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -37.41 66.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.423 . . . . 25.0 109.916 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -63.49 -34.87 78.72 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.14 -0.482 . . . . 25.0 111.294 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -57.97 -38.91 76.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.329 0.513 . . . . 25.0 111.088 176.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -71.79 -43.67 65.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.862 0.689 . . . . 25.0 112.862 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -76.45 -37.98 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.454 0.645 . . . . 25.0 110.899 -173.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' B' ' 24' ' ' PHE . 55.9 m -82.87 -22.01 34.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.386 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.54 -145.43 49.69 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.175 -1.17 . . . . 25.0 110.175 -176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mp0 -71.87 -9.96 59.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 115.004 1.483 . . . . 25.0 115.004 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -73.56 -16.04 61.27 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -174.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.44 176.16 51.27 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.824 -0.703 . . . . 25.0 112.523 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.409 ' HB3' ' SG ' ' B' ' 19' ' ' CYS . 48.6 p90 -165.39 -177.58 4.55 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 -175.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -129.16 161.87 29.1 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -146.19 142.01 28.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 82.0 p -114.51 100.87 53.8 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-O 120.651 0.262 . . . . 25.0 110.883 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.49 162.43 40.05 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 118.3 -0.667 . . . . 25.0 112.357 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -86.98 85.05 7.23 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.213 -0.865 0 CA-C-O 124.655 2.169 . . . . 25.0 111.64 178.904 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.605 0 CA-C-O 119.08 -0.844 . . . . 25.0 111.72 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -62.59 -30.39 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.533 1.167 . . . . 25.0 113.228 -174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.2 t -67.05 -41.46 87.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 O-C-N 121.464 -0.772 . . . . 25.0 109.83 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.32 -38.11 89.86 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -58.79 -42.57 89.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.984 -0.553 . . . . 25.0 111.274 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -78.9 -25.47 43.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.04 -50.29 10.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -176.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -87.24 -23.76 24.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.976 0.417 . . . . 25.0 111.109 -173.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.463 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.8 m -135.67 -179.25 5.53 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.948 -0.39 . . . . 25.0 109.948 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mm -87.9 131.75 34.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -117.92 136.23 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 172.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p -82.85 173.2 12.05 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.008 -0.367 . . . . 25.0 110.008 -175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -59.37 -29.37 67.65 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 111.726 0.269 . . . . 25.0 111.726 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -68.21 -35.03 77.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.725 0.774 . . . . 25.0 110.552 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -73.45 -33.67 65.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.04 -33.13 74.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.099 -0.5 . . . . 25.0 112.029 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.53 -29.21 64.16 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.071 -0.393 . . . . 25.0 111.706 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.58 -26.89 68.25 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -67.63 -24.51 65.47 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 122.3 -0.25 . . . . 25.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.84 36.89 3.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.245 1.022 . . . . 25.0 110.308 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 t30 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 123.524 1.631 . . . . 25.0 114.975 -177.164 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 t80 . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.62 117.58 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 108.69 -0.855 . . . . 25.0 108.69 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.24 129.14 38.95 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 110.068 -0.345 . . . . 25.0 110.068 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -160.01 150.52 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 105.355 -2.091 . . . . 25.0 105.355 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.463 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.8 m-70 -69.87 144.24 52.58 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 168.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.1 mt -129.2 112.82 14.33 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.515 0.561 . . . . 25.0 112.515 -172.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 70.7 m -131.8 156.69 45.56 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.484 -0.562 . . . . 25.0 109.484 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.71 -137.11 43.7 Favored Glycine 0 C--O 1.227 -0.341 0 C-N-CA 121.272 -0.489 . . . . 25.0 113.51 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -27.98 66.06 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 113.665 0.987 . . . . 25.0 113.665 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -39.91 95.0 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.603 -0.686 . . . . 25.0 109.893 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 tp -66.99 -41.47 86.69 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.93 -43.33 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.659 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.95 -32.7 74.35 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.856 -0.528 . . . . 25.0 111.402 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.65 78.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.09 -0.707 . . . . 25.0 109.09 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.1 -33.45 76.07 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.14 0.422 . . . . 25.0 112.14 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -55.06 -44.57 74.87 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.031 0.443 . . . . 25.0 110.378 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.95 -43.58 65.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.433 0.901 . . . . 25.0 113.433 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.0 t -74.58 -40.63 48.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.259 0.552 . . . . 25.0 111.546 -173.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.5 m -81.78 -22.52 37.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.29 -150.98 52.1 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-O 121.861 0.701 . . . . 25.0 113.484 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.23 -8.1 22.48 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -70.41 -23.02 62.68 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.304 -0.247 . . . . 25.0 110.899 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.61 177.34 51.71 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 109.916 -1.274 . . . . 25.0 109.916 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -165.58 177.28 7.48 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -134.57 166.17 23.51 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.665 -1.606 . . . . 25.0 106.665 174.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -140.84 142.67 34.55 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.032 -1.47 . . . . 25.0 107.032 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.53 97.48 46.63 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-O 121.813 0.816 . . . . 25.0 110.062 -177.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -80.06 155.83 22.99 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 120.67 0.913 . . . . 25.0 111.703 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -86.49 84.8 7.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 122.265 1.031 . . . . 25.0 108.914 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.207 -1.171 0 CA-C-O 123.116 1.436 . . . . 25.0 112.386 -179.076 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.755 0 CA-C-O 118.653 -1.082 . . . . 25.0 111.291 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.7 tt -56.53 -43.42 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.69 1.245 . . . . 25.0 114.154 -171.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.47 -40.04 87.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 121.468 -0.77 . . . . 25.0 110.937 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -62.28 -42.83 99.68 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.82 -38.5 91.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 25.0 111.136 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.3 m -74.37 -30.9 62.19 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.543 -0.463 . . . . 25.0 111.646 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.9 m -70.05 -47.96 59.87 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.041 -0.263 . . . . 25.0 110.864 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -88.0 -24.78 23.42 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.776 1.028 . . . . 25.0 113.776 -174.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.44 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.6 t -138.34 -170.24 2.77 Favored 'General case' 0 C--O 1.221 -0.425 0 O-C-N 121.828 -0.545 . . . . 25.0 110.456 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.8 mm -92.65 124.14 44.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 121.72 -0.613 . . . . 25.0 111.408 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 m -104.07 119.79 39.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.9 p -76.39 170.41 16.41 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.38 -29.24 65.87 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 111.719 0.266 . . . . 25.0 111.719 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -70.16 -39.28 75.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.114 0.483 . . . . 25.0 111.05 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.08 -36.88 80.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.787 -0.82 . . . . 25.0 108.787 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -68.18 -33.27 74.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.59 -0.732 . . . . 25.0 112.278 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.64 -24.99 62.25 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -60.6 -26.91 67.34 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -70.93 -21.74 62.32 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.322 -0.236 . . . . 25.0 111.346 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.4 m -83.12 67.35 9.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.774 0.797 . . . . 25.0 110.37 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--O 1.212 -0.905 0 CA-C-O 125.023 2.344 . . . . 25.0 111.87 178.679 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.7 t80 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.773 -0.632 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.8 t -124.17 130.45 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -66.96 128.71 37.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.907 0.384 . . . . 25.0 110.729 177.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -159.16 149.08 19.01 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 105.998 -1.853 . . . . 25.0 105.998 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 64.0 m-70 -67.67 144.83 55.3 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 170.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -135.78 117.75 15.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.641 0.258 . . . . 25.0 110.766 -175.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 t -143.38 159.95 41.43 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -141.18 46.43 Favored Glycine 0 C--O 1.231 -0.071 0 C-N-CA 120.919 -0.658 . . . . 25.0 111.686 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -29.39 67.47 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -34.16 75.85 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.957 -0.464 . . . . 25.0 111.405 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.25 -43.73 85.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.75 -41.91 88.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.236 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.68 -36.11 79.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.168 0.509 . . . . 25.0 110.612 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.2 75.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.765 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.28 -30.73 71.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -59.99 -41.7 92.6 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.1 mt -71.75 -41.22 68.7 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.51 -44.15 80.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.262 -0.426 . . . . 25.0 111.016 -174.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -20.57 27.23 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.9 -0.72 . . . . 25.0 111.751 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.27 -140.68 46.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.615 -0.802 . . . . 25.0 112.379 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -58.94 -23.56 61.55 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -63.74 -28.12 69.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 -179.27 47.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.838 -0.696 . . . . 25.0 111.907 -177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -166.82 177.66 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 104.461 -2.422 . . . . 25.0 104.461 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -140.08 165.42 27.4 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.559 -1.645 . . . . 25.0 106.559 171.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -141.23 137.34 32.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.624 -1.251 . . . . 25.0 107.624 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -119.83 96.2 49.43 Favored Pre-proline 0 C--O 1.239 0.528 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -176.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -72.06 154.69 57.56 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 116.535 -1.844 . . . . 25.0 110.099 174.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -135.49 116.12 13.84 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.213 -0.861 0 CA-C-O 125.163 2.411 . . . . 25.0 111.583 -179.05 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.039 0 N-CA-C 111.343 -0.703 . . . . 25.0 111.343 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 tt -59.68 -37.82 72.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 -171.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.59 -34.76 72.18 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 O-C-N 121.851 -0.53 . . . . 25.0 110.579 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -67.59 -43.26 80.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -61.11 -33.71 73.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.501 . . . . 25.0 111.392 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.8 m -83.13 -24.92 32.38 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.175 0.806 . . . . 25.0 113.175 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.5 -58.55 2.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -175.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -81.72 -18.29 44.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.223 0.535 . . . . 25.0 110.452 -173.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.492 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 39.7 m -138.98 -165.65 1.88 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.235 -1.394 . . . . 25.0 107.235 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.404 HD13 ' HB2' ' B' ' 3' ' ' ASN . 30.3 mt -116.23 112.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 -173.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -85.29 146.96 26.79 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -81.63 169.88 16.49 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.15 -29.52 69.83 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 122.276 -0.265 . . . . 25.0 111.13 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -67.24 -36.26 81.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.595 0.712 . . . . 25.0 110.288 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -71.24 -37.51 72.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.87 -0.605 . . . . 25.0 109.48 177.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.93 -35.82 77.72 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 111.874 0.324 . . . . 25.0 111.874 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -55.35 -25.1 32.96 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -64.76 -26.84 68.53 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -67.77 -10.98 57.38 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.855 -0.528 . . . . 25.0 110.594 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.1 m -103.5 22.55 14.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.345 0.593 . . . . 25.0 110.278 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 . . . . . 0 C--O 1.213 -0.844 0 CA-C-O 125.104 2.383 . . . . 25.0 111.59 -177.476 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 p -137.14 143.44 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 107.322 -1.362 . . . . 25.0 107.322 -178.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.404 ' HB2' HD13 ' A' ' 10' ' ' ILE . 6.4 p30 -77.38 134.0 38.56 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.716 0.77 . . . . 25.0 111.528 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -160.24 152.05 20.06 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 104.426 -2.435 . . . . 25.0 104.426 170.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.0 m-70 -67.3 143.53 56.37 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.235 -1.394 . . . . 25.0 107.235 169.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 76.4 mt -128.9 105.31 8.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.138 1.162 . . . . 25.0 114.138 -171.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 70.8 m -127.55 154.46 45.15 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 174.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -137.07 50.53 Favored Glycine 0 C--O 1.229 -0.166 0 C-N-CA 120.817 -0.706 . . . . 25.0 113.261 176.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.69 -27.77 65.15 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -62.03 -40.72 96.69 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 121.877 -0.514 . . . . 25.0 110.396 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.19 -40.52 90.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.008 0.432 . . . . 25.0 109.902 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.67 -44.91 98.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.057 -0.52 . . . . 25.0 110.597 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.41 -31.53 72.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.785 -0.572 . . . . 25.0 111.347 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.44 80.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.82 -32.84 74.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -58.14 -42.02 84.96 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 110.073 -0.343 . . . . 25.0 110.073 175.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.56 -42.01 68.36 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.187 0.81 . . . . 25.0 113.187 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -74.5 -41.33 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.998 0.428 . . . . 25.0 111.386 -174.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -17.73 33.45 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.033 -0.667 . . . . 25.0 111.345 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.5 -154.58 52.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.608 -0.806 . . . . 25.0 112.658 178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -65.81 -6.39 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.532 1.308 . . . . 25.0 114.532 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -69.35 -23.12 63.72 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.316 -0.24 . . . . 25.0 111.349 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.51 178.23 52.28 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 109.567 -1.413 . . . . 25.0 109.567 -175.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -163.94 -179.45 6.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.911 -1.885 . . . . 25.0 105.911 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -136.49 169.02 18.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -136.79 153.09 50.91 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 106.303 -1.739 . . . . 25.0 106.303 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.86 90.91 44.55 Favored Pre-proline 0 CA--C 1.55 0.971 0 CA-C-O 121.91 0.862 . . . . 25.0 110.829 -176.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -80.37 174.48 11.26 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 121.603 1.535 . . . . 25.0 110.33 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -142.44 156.05 45.15 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.204 -1.305 0 CA-C-O 123.917 1.818 . . . . 25.0 112.524 178.134 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.489 0 N-CA-C 111.278 -0.729 . . . . 25.0 111.278 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 tt -61.18 -32.35 52.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 117.805 0.803 . . . . 25.0 112.627 -171.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.43 -42.99 96.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 O-C-N 122.051 -0.406 . . . . 25.0 109.905 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -65.96 -42.21 90.21 Favored 'General case' 0 C--O 1.217 -0.625 0 O-C-N 122.068 -0.395 . . . . 25.0 110.195 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.73 -38.14 80.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.151 0.282 . . . . 25.0 110.955 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.3 m -81.3 -26.82 35.39 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.317 -0.553 . . . . 25.0 111.921 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.8 t -72.1 -54.09 10.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.188 0.518 . . . . 25.0 110.602 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -87.85 -18.56 28.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -174.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.45 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 23.9 p -142.49 -174.5 4.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.737 -0.468 . . . . 25.0 109.737 -179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -89.57 127.63 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 O-C-N 121.514 -0.741 . . . . 25.0 111.504 -168.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 m -109.89 119.12 38.35 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 168.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.9 p -76.15 169.24 18.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.741 -1.578 . . . . 25.0 106.741 175.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.57 -30.13 65.0 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -67.44 -36.84 82.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.434 0.635 . . . . 25.0 111.382 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -72.01 -33.59 68.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.378 0.608 . . . . 25.0 109.845 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.97 -32.1 73.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.661 -0.699 . . . . 25.0 111.73 177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -57.31 -19.4 22.0 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -65.49 -26.99 68.17 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.676 -0.64 . . . . 25.0 112.194 176.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -73.85 -10.59 59.82 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.832 0.348 . . . . 25.0 111.585 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.38 131.21 42.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.184 -1.413 . . . . 25.0 107.184 178.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 114.609 1.337 . . . . 25.0 114.609 -178.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.93 -0.557 . . . . 25.0 109.781 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.42 141.34 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.541 -1.281 . . . . 25.0 107.541 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -69.13 136.09 51.69 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 120.911 0.386 . . . . 25.0 110.628 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -160.28 156.08 25.83 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.254 -2.498 . . . . 25.0 104.254 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.8 m-70 -67.99 141.95 56.1 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 106.124 -1.806 . . . . 25.0 106.124 169.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.3 mt -133.39 113.36 12.47 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.83 0.347 . . . . 25.0 110.906 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -141.64 154.76 45.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.51 -141.54 47.86 Favored Glycine 0 C--O 1.229 -0.163 0 C-N-CA 120.582 -0.818 . . . . 25.0 111.515 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -29.22 67.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -38.51 85.23 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 122.04 -0.413 . . . . 25.0 110.546 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 tp -67.19 -44.23 80.17 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.19 -43.8 98.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.009 0.433 . . . . 25.0 111.02 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -63.66 -35.02 79.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.165 0.507 . . . . 25.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.18 -38.83 69.0 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.17 -32.6 74.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.384 0.512 . . . . 25.0 112.384 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.55 -40.74 79.54 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 120.945 -0.302 . . . . 25.0 110.35 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.94 -43.85 64.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.03 0.752 . . . . 25.0 113.03 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.58 -42.66 71.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 25.0 111.308 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 m -86.18 -20.79 28.05 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 120.735 -0.386 . . . . 25.0 111.777 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.57 -129.9 20.96 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-O 122.205 0.892 . . . . 25.0 113.764 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -62.31 -21.53 65.33 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -23.18 61.1 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.636 -0.665 . . . . 25.0 112.385 -177.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.25 172.72 37.84 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.984 -0.846 . . . . 25.0 110.984 -175.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -160.02 176.69 11.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.85 -1.537 . . . . 25.0 106.85 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -130.62 161.2 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -145.68 140.75 27.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.4 118.39 31.13 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -86.0 154.64 9.85 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.211 1.274 . . . . 25.0 112.555 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -98.4 102.45 14.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.39 -0.967 . . . . 25.0 108.39 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.3 p . . . . . 0 C--O 1.209 -1.054 0 CA-C-O 122.906 1.336 . . . . 25.0 111.495 -179.266 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.098 0 CA-C-O 118.799 -1.001 . . . . 25.0 111.428 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -58.51 -43.2 86.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 119.409 1.605 . . . . 25.0 113.46 -172.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.26 -33.75 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 121.523 -0.735 . . . . 25.0 110.767 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.03 -44.31 89.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -38.22 88.72 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.234 -0.187 . . . . 25.0 111.367 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.5 m -73.79 -17.31 61.1 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.12 0.415 . . . . 25.0 112.12 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -88.59 -51.46 5.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.052 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -76.27 -23.5 54.43 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 122.211 -0.306 . . . . 25.0 111.761 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.493 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 49.4 m -136.13 -169.08 2.35 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 107.948 -1.13 . . . . 25.0 107.948 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' B' ' 3' ' ' ASN . 33.7 mt -110.44 113.11 43.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.208 0.527 . . . . 25.0 111.714 -170.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 m -83.36 120.2 25.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 171.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.5 p -72.34 168.4 18.46 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 176.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -57.7 -30.01 65.16 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.963 -0.46 . . . . 25.0 111.577 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -67.11 -38.63 85.98 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 121.455 0.645 . . . . 25.0 111.127 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -70.64 -36.56 73.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.07 -32.09 73.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.186 -0.461 . . . . 25.0 112.022 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -57.93 -22.12 47.21 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -62.08 -27.59 69.02 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.91 -0.494 . . . . 25.0 112.093 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -77.22 -16.24 59.14 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.78 61.61 2.48 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.383 1.253 . . . . 25.0 114.383 -171.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.2 t30 . . . . . 0 C--O 1.208 -1.091 0 CA-C-O 124.348 2.023 . . . . 25.0 112.065 175.011 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.9 t80 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 119.008 -0.52 . . . . 25.0 109.668 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.2 143.64 34.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 106.59 -1.634 . . . . 25.0 106.59 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.404 ' HB2' HG21 ' A' ' 10' ' ' ILE . 8.4 p30 -72.88 137.16 45.48 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.112 -0.635 . . . . 25.0 110.507 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -160.3 147.03 15.79 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.362 -2.088 . . . . 25.0 105.362 171.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.493 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.3 m-70 -66.7 142.38 57.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 169.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -126.63 105.37 8.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.245 0.545 . . . . 25.0 111.869 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 45.1 m -118.57 148.66 42.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.347 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.06 -136.87 50.5 Favored Glycine 0 C--O 1.227 -0.286 0 C-N-CA 120.619 -0.8 . . . . 25.0 113.402 175.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -26.28 65.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.82 1.044 . . . . 25.0 113.82 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -38.52 84.38 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.664 -0.647 . . . . 25.0 109.622 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.29 -43.67 81.17 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 109.827 -0.435 . . . . 25.0 109.827 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.59 -44.1 96.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.733 0.302 . . . . 25.0 111.061 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -68.0 -29.73 68.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.942 -0.474 . . . . 25.0 111.548 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.61 70.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt -66.14 -33.95 76.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.368 -0.378 . . . . 25.0 111.816 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -58.13 -39.46 78.79 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.616 -0.433 . . . . 25.0 110.302 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.82 -46.43 58.14 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.176 0.806 . . . . 25.0 113.176 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.09 -44.65 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.262 0.553 . . . . 25.0 110.877 -173.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.1 m -84.04 -17.81 39.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.364 -0.38 . . . . 25.0 111.192 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.67 -154.97 38.11 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.381 -0.914 . . . . 25.0 112.424 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -67.89 -6.59 22.57 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -18.77 62.4 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.128 -0.357 . . . . 25.0 110.983 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.78 174.18 49.74 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.982 -0.627 . . . . 25.0 112.048 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -163.51 -179.45 6.48 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.798 -1.186 . . . . 25.0 107.798 -176.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -123.73 157.66 33.44 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -146.97 144.97 29.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.679 -1.23 . . . . 25.0 107.679 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.23 106.73 52.61 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -82.12 156.07 17.31 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 121.234 1.289 . . . . 25.0 112.89 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -89.85 96.26 10.61 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 175.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.214 -0.774 0 CA-C-O 125.002 2.334 . . . . 25.0 111.988 178.484 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.026 0 CA-C-O 118.517 -1.157 . . . . 25.0 111.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -62.81 -41.71 93.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 119.227 1.514 . . . . 25.0 113.279 -174.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 p -62.2 -30.21 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 121.459 0.647 . . . . 25.0 111.567 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.56 -40.52 97.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.82 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -64.87 -39.46 93.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.821 0.304 . . . . 25.0 111.821 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.1 m -78.85 -18.87 53.28 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.543 -0.463 . . . . 25.0 111.596 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -79.03 -42.63 26.06 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -85.18 -25.11 27.6 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.455 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.9 m -138.55 176.91 8.28 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.376 -0.827 . . . . 25.0 112.142 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -82.01 125.06 39.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 121.74 -0.6 . . . . 25.0 111.177 -170.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.6 m -110.91 101.64 10.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.351 -0.981 . . . . 25.0 108.351 171.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -71.19 169.86 14.22 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 175.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.65 -32.88 44.29 Favored 'General case' 0 C--O 1.216 -0.689 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 -177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -65.34 -38.94 91.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.542 0.687 . . . . 25.0 111.853 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -70.33 -38.81 74.97 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.009 -0.738 . . . . 25.0 109.009 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.69 -35.59 81.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.713 -0.676 . . . . 25.0 112.634 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -56.07 -26.43 49.4 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -64.35 -26.67 68.57 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.164 0.802 . . . . 25.0 113.164 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -68.15 -21.25 64.92 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.283 0.563 . . . . 25.0 110.098 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.5 m -106.28 45.35 0.98 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.972 0.891 . . . . 25.0 109.673 -175.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 . . . . . 0 C--O 1.212 -0.887 0 CA-C-O 124.794 2.235 . . . . 25.0 111.858 -179.199 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.868 -0.587 . . . . 25.0 109.735 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 p -132.73 135.23 57.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 107.559 -1.274 . . . . 25.0 107.559 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -79.68 133.41 36.37 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 120.717 0.294 . . . . 25.0 110.505 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.11 154.64 23.9 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 174.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.7 m-70 -68.06 145.14 54.72 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 106.63 -1.619 . . . . 25.0 106.63 169.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 mt -132.79 116.01 16.02 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.64 0.257 . . . . 25.0 110.608 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 m -121.1 151.67 39.58 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.26 -134.94 41.11 Favored Glycine 0 C--O 1.228 -0.266 0 C-N-CA 121.076 -0.583 . . . . 25.0 114.099 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -59.43 -28.38 66.9 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 114.038 1.125 . . . . 25.0 114.038 -178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -62.48 -34.69 77.34 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.825 -0.547 . . . . 25.0 110.661 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.65 -43.44 80.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.698 -0.482 . . . . 25.0 109.698 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.62 -42.05 94.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.04 -0.527 . . . . 25.0 110.426 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -62.33 -36.25 81.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.007 0.432 . . . . 25.0 110.588 178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.27 73.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.413 -0.358 . . . . 25.0 110.695 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.71 -32.64 74.2 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -60.16 -41.07 92.01 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.916 0.388 . . . . 25.0 110.262 176.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.4 mt -71.7 -45.15 62.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.618 0.599 . . . . 25.0 112.618 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -72.62 -40.24 62.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.955 -0.566 . . . . 25.0 111.65 -172.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.0 m -94.88 -7.52 39.88 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.211 -0.45 . . . . 25.0 111.919 -177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.85 -155.97 51.94 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-O 122.592 1.107 . . . . 25.0 114.862 173.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -66.85 -6.3 15.76 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.905 1.076 . . . . 25.0 113.905 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -66.21 -27.77 68.23 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.781 0.324 . . . . 25.0 111.435 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.36 -179.57 52.59 Favored Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 109.86 -1.296 . . . . 25.0 109.86 -174.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -166.91 179.21 5.38 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 106.456 -1.683 . . . . 25.0 106.456 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.66 163.48 24.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -139.46 143.29 37.49 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.791 -1.189 . . . . 25.0 107.791 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -106.91 98.18 20.44 Favored Pre-proline 0 C--O 1.241 0.651 0 N-CA-C 112.197 0.443 . . . . 25.0 112.197 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.58 173.17 14.91 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 118.406 -0.596 . . . . 25.0 111.191 176.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -117.49 95.5 4.99 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 122.303 1.049 . . . . 25.0 109.363 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.213 -0.824 0 CA-C-O 122.952 1.358 . . . . 25.0 111.319 -178.648 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.596 -0.601 . . . . 25.0 111.596 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.2 tt -62.08 -35.29 67.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 N-CA-C 113.093 0.775 . . . . 25.0 113.093 -175.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.61 -36.84 77.45 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.445 0 O-C-N 121.797 -0.564 . . . . 25.0 110.394 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -65.76 -41.35 92.21 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 121.455 -0.778 . . . . 25.0 109.857 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.01 -40.51 85.16 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.141 0.275 . . . . 25.0 110.67 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -73.78 -37.44 64.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 177.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.5 m -70.65 -48.84 52.88 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.328 0.492 . . . . 25.0 112.328 -177.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -88.08 -23.14 23.8 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -173.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.445 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.8 t -140.33 -170.04 2.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.907 -0.496 . . . . 25.0 109.899 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.4 mm -97.53 108.58 21.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.3 p -91.86 142.87 27.09 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.152 -1.796 . . . . 25.0 106.152 173.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.8 p -84.92 169.08 14.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.703 0.287 . . . . 25.0 110.719 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -61.62 -28.03 69.07 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-O 120.881 0.372 . . . . 25.0 111.297 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -67.88 -38.55 83.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.264 0.554 . . . . 25.0 109.81 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.31 -36.72 77.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.104 -0.498 . . . . 25.0 110.123 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.13 -33.87 75.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.291 178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -61.12 -22.25 64.48 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 113.209 0.818 . . . . 25.0 113.209 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -65.18 -27.03 68.41 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.855 -0.528 . . . . 25.0 111.414 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -68.27 -17.5 64.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.035 0.445 . . . . 25.0 110.03 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.2 p -131.44 49.64 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 t30 . . . . . 0 C--O 1.209 -1.052 0 C-N-CA 126.702 2.001 . . . . 25.0 113.437 -179.38 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.6 t80 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.899 -0.572 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.32 129.22 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -71.79 130.31 40.77 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.685 0.755 . . . . 25.0 111.54 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -160.11 155.11 24.63 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 104.09 -2.559 . . . . 25.0 104.09 171.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.1 m-70 -66.41 141.57 57.89 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 106.431 -1.692 . . . . 25.0 106.431 170.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -129.31 111.93 13.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.987 0.422 . . . . 25.0 110.906 -174.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.39 157.61 44.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.42 -0.956 . . . . 25.0 108.42 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.38 -137.78 49.72 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.604 -0.808 . . . . 25.0 112.313 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.8 p -60.73 -29.32 69.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.92 -39.21 93.88 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.495 -0.753 . . . . 25.0 110.157 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.4 tp -66.92 -42.46 85.33 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 110.02 -0.363 . . . . 25.0 110.02 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.85 -45.53 98.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.509 -0.314 . . . . 25.0 110.946 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -68.59 -30.19 68.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.744 -0.597 . . . . 25.0 111.68 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.2 78.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.18 -33.71 76.66 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.123 0.416 . . . . 25.0 112.123 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -57.0 -42.48 80.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.713 -0.395 . . . . 25.0 109.94 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.87 -44.26 64.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -75.2 -41.7 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 121.262 0.553 . . . . 25.0 111.407 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 83.6 m -78.72 -24.18 45.07 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.14 -141.7 47.47 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.708 -0.758 . . . . 25.0 112.485 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.1 -9.68 42.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -69.98 -26.05 63.91 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 122.108 -0.37 . . . . 25.0 111.046 178.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.78 179.31 49.7 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 109.471 -1.452 . . . . 25.0 109.471 -174.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -162.81 177.27 9.44 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -131.64 165.34 23.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 175.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -137.02 145.06 43.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 105.573 -2.01 . . . . 25.0 105.573 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.86 95.14 43.31 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 121.857 0.837 . . . . 25.0 110.16 -177.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.65 169.48 16.76 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 121.283 1.322 . . . . 25.0 110.574 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -145.47 164.28 32.05 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 107.085 -1.45 . . . . 25.0 107.085 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 45.6 p . . . . . 0 C--O 1.215 -0.734 0 CA-C-O 121.983 0.896 . . . . 25.0 109.503 170.615 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.875 0 CA-C-O 119.145 -0.809 . . . . 25.0 111.149 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -57.13 -37.04 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 118.384 1.092 . . . . 25.0 113.782 -171.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.98 -38.42 75.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 O-C-N 121.657 -0.652 . . . . 25.0 110.793 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -65.56 -45.02 84.95 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 121.441 -0.787 . . . . 25.0 108.946 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -58.93 -40.15 83.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.123 0.264 . . . . 25.0 110.663 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 m -73.2 -33.65 65.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.0 m -75.3 -48.58 22.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -88.17 -16.68 32.71 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.558 0.947 . . . . 25.0 113.558 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -139.15 -178.41 5.34 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.9 mm -74.11 119.25 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 121.477 -0.764 . . . . 25.0 110.571 -167.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.491 ' HB3' HD23 ' B' ' 6' ' ' LEU . 10.7 t -90.12 74.78 7.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.027 -1.101 . . . . 25.0 108.027 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -63.61 164.83 8.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.523 -0.762 . . . . 25.0 109.581 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -52.99 -30.72 36.78 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 112.869 0.692 . . . . 25.0 112.869 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -64.88 -39.61 93.82 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 121.017 0.437 . . . . 25.0 111.657 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -69.36 -41.43 76.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.56 -36.9 84.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.046 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.5 -29.84 66.57 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -67.08 -26.65 66.82 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.446 0.535 . . . . 25.0 112.446 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -73.74 -21.17 60.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.72 0.295 . . . . 25.0 110.296 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.4 m -75.83 102.77 5.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.701 0.763 . . . . 25.0 110.432 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.207 -1.164 0 CA-C-O 124.04 1.876 . . . . 25.0 112.405 178.707 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 119.105 -0.474 . . . . 25.0 109.813 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 66.5 t -113.82 123.51 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.18 130.03 41.84 Favored 'General case' 0 CA--C 1.503 -0.832 0 C-N-CA 120.764 -0.374 . . . . 25.0 110.741 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -160.37 156.23 25.86 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 105.109 -2.182 . . . . 25.0 105.109 174.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -75.57 140.76 42.88 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 106.942 -1.503 . . . . 25.0 106.942 170.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 11' ' ' CYS . 1.4 mm? -126.79 124.38 39.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.479 0.581 . . . . 25.0 110.32 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 t -144.86 159.64 42.57 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.62 -142.77 48.14 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 121.029 -0.605 . . . . 25.0 112.315 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.26 -27.48 67.28 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.587 0.588 . . . . 25.0 112.587 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -66.32 -29.11 69.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.842 -0.536 . . . . 25.0 111.478 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 tp -67.82 -41.79 82.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.23 -40.07 87.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.346 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.67 -34.61 77.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.861 0.362 . . . . 25.0 111.038 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.05 -34.68 64.14 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.075 -0.342 . . . . 25.0 110.075 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.1 mt -65.61 -30.65 71.4 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.998 0.37 . . . . 25.0 111.998 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -60.36 -36.7 78.64 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.554 175.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.95 -43.45 65.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -79.55 -39.18 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.009 0.433 . . . . 25.0 111.829 -172.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 -21.32 40.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 176.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.65 -159.49 50.56 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.53 -0.843 . . . . 25.0 111.535 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.16 -6.19 12.61 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 114.035 1.124 . . . . 25.0 114.035 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.09 -25.1 66.86 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.824 0.345 . . . . 25.0 110.458 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.39 171.93 48.15 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 111.722 -0.551 . . . . 25.0 111.722 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -164.16 176.67 9.02 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -136.18 163.36 30.55 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -140.42 141.11 35.55 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.739 -1.578 . . . . 25.0 106.739 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.5 p -121.42 94.13 48.66 Favored Pre-proline 0 C--O 1.242 0.696 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -70.32 154.69 65.3 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 117.873 -0.951 . . . . 25.0 109.783 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -135.41 110.81 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.654 -0.499 . . . . 25.0 109.654 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.21 -1.014 0 CA-C-O 124.489 2.09 . . . . 25.0 111.519 -178.216 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 111.533 -0.627 . . . . 25.0 111.533 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -61.93 -33.65 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 113.401 0.889 . . . . 25.0 113.401 -174.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.88 -42.53 82.56 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 O-C-N 121.841 -0.537 . . . . 25.0 109.591 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -65.23 -38.46 90.46 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.954 -0.298 . . . . 25.0 110.478 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -59.44 -36.18 75.43 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.376 0.139 . . . . 25.0 111.376 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.1 m -81.61 -35.15 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.67 -52.17 11.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.567 0.951 . . . . 25.0 113.567 -174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -87.83 -21.07 25.26 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.469 0.652 . . . . 25.0 111.757 -173.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.429 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 29.2 p -140.04 -170.68 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mm -96.48 134.07 35.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 106.908 -1.516 . . . . 25.0 106.908 -175.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -118.79 145.38 45.66 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.976 -1.49 . . . . 25.0 106.976 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.8 t -85.35 166.05 16.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.302 -0.408 . . . . 25.0 110.613 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -58.03 -27.87 63.95 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -65.34 -36.14 83.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.558 0.694 . . . . 25.0 110.682 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -72.36 -36.57 68.81 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.99 -0.745 . . . . 25.0 108.99 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.58 -36.86 84.05 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.207 -0.308 . . . . 25.0 110.563 176.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.76 -20.32 63.43 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.5 0.926 . . . . 25.0 113.5 175.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -27.09 65.53 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.596 -0.69 . . . . 25.0 110.728 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -74.21 -8.69 57.09 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.015 0.436 . . . . 25.0 111.213 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -77.1 155.96 32.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.519 0.675 . . . . 25.0 109.274 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 C--O 1.213 -0.83 0 CA-C-O 123.513 1.625 . . . . 25.0 111.33 176.626 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.8 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.993 -0.527 . . . . 25.0 109.701 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.48 116.25 43.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.03 127.43 32.54 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 120.41 -0.516 . . . . 25.0 110.472 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -159.0 151.52 21.62 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 104.222 -2.51 . . . . 25.0 104.222 173.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 66.7 m-70 -68.11 140.23 56.2 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 106.638 -1.615 . . . . 25.0 106.638 170.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.5 mt -126.95 106.6 9.41 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.009 0.523 . . . . 25.0 109.958 -174.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.27 160.28 40.32 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.237 -1.023 . . . . 25.0 108.237 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.56 -138.18 48.48 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.591 -0.814 . . . . 25.0 111.657 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 33.0 p -61.38 -30.32 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.04 -38.16 87.66 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.69 -0.631 . . . . 25.0 110.051 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.17 -45.98 75.34 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.17 -0.308 . . . . 25.0 110.17 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.07 -42.22 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.846 0.355 . . . . 25.0 111.088 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -67.74 -29.35 68.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.661 -0.649 . . . . 25.0 111.342 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.91 76.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.16 -34.22 77.86 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.635 0.235 . . . . 25.0 111.635 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.2 -39.36 86.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 120.964 -0.295 . . . . 25.0 110.208 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.1 mt -71.93 -45.75 60.04 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.28 -41.1 57.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.221 0.534 . . . . 25.0 111.319 -173.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -22.76 33.42 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.623 -0.831 . . . . 25.0 110.677 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.17 -148.53 50.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.194 -1.003 . . . . 25.0 111.089 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.63 -6.58 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.199 1.185 . . . . 25.0 114.199 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -66.68 -26.39 67.01 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.003 0.371 . . . . 25.0 112.003 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.24 157.94 24.88 Favored Glycine 0 C--O 1.225 -0.421 0 C-N-CA 121.117 -0.564 . . . . 25.0 111.972 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -151.35 176.83 10.87 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 106.029 -1.841 . . . . 25.0 106.029 -176.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -131.87 159.83 37.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -146.39 139.53 25.68 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.872 -1.529 . . . . 25.0 106.872 177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.73 85.38 53.44 Favored Pre-proline 0 C--O 1.245 0.83 0 CA-C-O 121.758 0.789 . . . . 25.0 108.934 -175.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.79 155.17 63.03 Favored 'Trans proline' 0 CA--C 1.518 -0.316 0 C-N-CA 121.033 1.155 . . . . 25.0 111.038 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -137.22 132.4 33.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -175.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.205 -1.258 0 CA-C-O 123.787 1.756 . . . . 25.0 113.392 -177.903 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.269 0 CA-C-O 118.597 -1.113 . . . . 25.0 111.426 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -59.66 -42.53 88.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 119.728 1.764 . . . . 25.0 114.567 -171.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.12 -30.31 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.151 -0.968 . . . . 25.0 110.551 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.05 -33.45 76.06 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.804 -0.635 . . . . 25.0 109.99 -176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -59.8 -40.85 89.76 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 120.631 -0.427 . . . . 25.0 110.707 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.3 m -77.78 -22.14 50.63 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.368 0.507 . . . . 25.0 112.368 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.4 m -86.83 -32.81 20.09 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.747 -0.381 . . . . 25.0 111.925 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -88.16 -35.83 17.18 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.521 0.563 . . . . 25.0 112.521 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -135.71 166.86 22.29 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 mm -81.48 118.12 28.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 119.772 -0.771 . . . . 25.0 109.549 -176.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -87.33 132.12 34.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.572 -1.64 . . . . 25.0 106.572 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.5 p -81.34 171.1 15.19 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.87 -30.0 67.4 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.044 0.387 . . . . 25.0 112.044 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -69.52 -37.2 77.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.207 0.527 . . . . 25.0 110.192 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -70.92 -39.73 72.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 mt -62.77 -31.98 73.05 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.77 -30.92 64.1 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.671 0.669 . . . . 25.0 111.231 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -68.31 -27.96 66.74 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.097 0.406 . . . . 25.0 112.097 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -70.75 -21.65 62.5 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 110.132 -0.321 . . . . 25.0 110.132 -177.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.6 p -121.97 25.39 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.771 0.796 . . . . 25.0 110.943 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 C--O 1.209 -1.079 0 CA-C-O 124.024 1.868 . . . . 25.0 113.084 -178.386 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 119.052 -0.499 . . . . 25.0 109.692 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -138.38 143.51 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 106.19 -1.782 . . . . 25.0 106.19 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -81.28 127.29 32.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.422 0.63 . . . . 25.0 110.77 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -160.06 140.8 12.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 104.845 -2.28 . . . . 25.0 104.845 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -70.39 132.76 46.12 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.692 -0.403 . . . . 25.0 110.84 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 mt -135.08 129.54 34.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -138.15 162.22 34.79 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.16 -138.06 45.72 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.462 -0.875 . . . . 25.0 111.743 178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.4 p -60.41 -28.45 68.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -68.94 -30.69 69.19 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.514 -0.741 . . . . 25.0 110.793 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.52 -34.51 65.27 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.28 -40.38 87.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.907 -0.775 . . . . 25.0 108.907 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -68.13 -25.89 65.51 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.912 -0.493 . . . . 25.0 111.917 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.69 -43.68 79.55 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.55 -31.44 72.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.082 -0.508 . . . . 25.0 112.151 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -55.68 -44.53 77.4 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.527 -0.546 . . . . 25.0 109.527 174.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.86 -43.14 65.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.127 0.788 . . . . 25.0 113.127 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.25 -43.92 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 -172.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -18.42 32.26 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.077 -0.649 . . . . 25.0 109.758 177.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.96 -157.56 53.38 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.436 -0.887 . . . . 25.0 113.473 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -65.04 -6.58 9.09 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 116.215 1.932 . . . . 25.0 116.215 -176.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -71.84 -13.29 61.64 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.112 0.869 . . . . 25.0 111.444 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.28 171.34 44.17 Favored Glycine 0 C--O 1.228 -0.276 0 N-CA-C 109.105 -1.598 . . . . 25.0 109.105 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -164.37 174.34 11.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -130.38 164.98 23.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.04 -1.467 . . . . 25.0 107.04 176.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -147.06 149.8 33.79 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.7 p -108.78 92.69 10.86 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-O 121.16 0.505 . . . . 25.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -77.92 174.82 11.98 Favored 'Trans proline' 0 C--N 1.348 0.538 0 CA-C-O 121.211 0.421 . . . . 25.0 112.863 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -148.98 156.39 42.2 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 104.194 -2.521 . . . . 25.0 104.194 174.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.315 -0.935 0 CA-C-O 123.778 1.751 . . . . 25.0 111.727 178.917 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.089 0 CA-C-O 119.198 -0.779 . . . . 25.0 111.519 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt -60.02 -29.16 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER -54.79 -28.84 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 113.066 0.765 . . . . 25.0 113.066 178.112 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -63.77 -32.51 74.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 121.882 -0.512 . . . . 25.0 111.627 -175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -57.95 -39.99 79.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.804 0.335 . . . . 25.0 110.581 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.7 m -90.43 -21.18 22.04 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.369 -0.533 . . . . 25.0 111.821 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -71.25 -44.51 65.14 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.9 -0.407 . . . . 25.0 109.9 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -88.09 -19.09 27.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.16 1.171 . . . . 25.0 114.16 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -142.75 -178.67 5.91 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.724 -0.61 . . . . 25.0 112.332 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -84.99 127.9 39.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 -172.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.0 m -112.05 105.46 13.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.221 0.534 . . . . 25.0 110.124 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -67.05 165.75 15.13 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.093 -1.447 . . . . 25.0 107.093 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -54.24 -31.69 54.04 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 113.16 0.8 . . . . 25.0 113.16 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -66.06 -38.54 88.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.44 0.638 . . . . 25.0 111.636 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -70.11 -37.35 75.33 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.785 -0.82 . . . . 25.0 108.785 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.44 -32.22 73.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.364 -0.835 . . . . 25.0 111.979 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -59.24 -18.97 41.78 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -66.92 -28.21 68.11 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.784 -0.572 . . . . 25.0 111.616 175.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.43 ' HB2' HD21 ' B' ' 15' ' ' LEU . 61.8 m-85 -88.18 -1.58 58.1 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.275 0.63 . . . . 25.0 110.384 -177.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -86.46 152.46 22.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -169.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 t30 . . . . . 0 C--O 1.217 -0.611 0 CA-C-O 124.077 1.894 . . . . 25.0 111.039 173.609 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.883 -0.58 . . . . 25.0 109.594 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 83.5 t -124.18 129.03 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -76.18 126.39 30.9 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 120.225 -0.59 . . . . 25.0 110.777 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -160.19 152.67 20.91 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 104.355 -2.461 . . . . 25.0 104.355 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -67.27 140.96 57.37 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.011 -1.478 . . . . 25.0 107.011 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.92 105.83 12.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.214 0.53 . . . . 25.0 110.041 -176.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.52 152.08 46.65 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.39 -135.23 47.91 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.413 -0.899 . . . . 25.0 111.837 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.4 p -60.53 -29.99 69.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -63.2 -35.61 80.88 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.74 -0.6 . . . . 25.0 110.983 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.8 tp -68.0 -47.77 67.59 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.384 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m -69.37 -34.01 60.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 120.075 -0.65 . . . . 25.0 111.008 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -64.71 -41.29 96.11 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.963 -0.461 . . . . 25.0 110.674 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.87 91.19 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' A' ' 19' ' ' TYR . 27.5 mt -66.12 -32.3 73.67 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -59.92 -37.43 79.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.78 -44.41 64.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.675 0.62 . . . . 25.0 112.675 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -68.42 -40.24 81.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.415 0.626 . . . . 25.0 110.635 -174.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.4 m -89.09 -23.85 22.41 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.67 -142.18 48.08 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.583 -1.407 . . . . 25.0 109.583 -174.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -70.18 -6.33 33.63 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.576 1.324 . . . . 25.0 114.576 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.03 -25.12 64.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.69 -0.631 . . . . 25.0 111.92 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.94 177.38 50.58 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.186 -0.766 . . . . 25.0 111.186 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -156.92 -179.64 8.4 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.509 -1.663 . . . . 25.0 106.509 -176.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -130.13 168.23 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.587 0.708 . . . . 25.0 110.224 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -143.18 158.69 43.4 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.655 -1.98 . . . . 25.0 105.655 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.1 p -113.14 85.0 7.71 Favored Pre-proline 0 CA--C 1.544 0.736 0 CA-C-O 120.7 0.286 . . . . 25.0 111.165 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -81.08 -175.76 2.81 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 120.854 1.036 . . . . 25.0 111.717 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -118.83 97.34 5.66 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.212 -0.901 0 CA-C-O 124.827 2.251 . . . . 25.0 111.077 -179.556 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.52 -0.632 . . . . 25.0 111.52 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.2 tt -58.27 -33.47 47.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -175.029 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.69 -38.62 82.77 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 O-C-N 121.664 -0.647 . . . . 25.0 110.845 177.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -65.87 -44.81 84.28 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.447 -0.783 . . . . 25.0 109.766 177.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -59.67 -40.21 87.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.815 0.34 . . . . 25.0 110.563 -177.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.6 m -77.73 -20.71 53.04 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.6 t -87.17 -44.38 11.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.799 0.333 . . . . 25.0 111.115 179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -84.86 -14.94 46.38 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -176.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -142.56 -178.21 5.66 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 122.03 -0.418 . . . . 25.0 109.948 177.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -74.29 120.91 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.561 0.696 . . . . 25.0 110.716 -169.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -94.45 102.39 14.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 178.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.6 p -78.93 166.29 22.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.92 -28.96 68.04 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.832 0.348 . . . . 25.0 111.451 179.118 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -67.38 -37.76 83.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.432 0.634 . . . . 25.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.17 -37.76 78.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.433 -0.581 . . . . 25.0 109.433 177.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.09 -37.02 83.45 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.38 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.91 -29.74 63.31 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.543 0.571 . . . . 25.0 112.543 178.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.13 -26.84 68.36 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.421 0.897 . . . . 25.0 113.421 -178.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -74.2 -7.12 51.57 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.116 0.484 . . . . 25.0 111.411 -178.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.9 m -106.88 135.41 48.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.729 0.776 . . . . 25.0 110.081 -173.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.1 t30 . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 124.566 2.127 . . . . 25.0 112.005 -178.378 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.63 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.49 130.24 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -67.95 129.41 39.82 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.138 0.494 . . . . 25.0 111.318 178.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -159.72 155.53 26.14 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 104.86 -2.274 . . . . 25.0 104.86 171.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -69.07 143.22 54.3 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 106.528 -1.656 . . . . 25.0 106.528 168.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.7 mt -125.09 108.22 11.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.98 0.419 . . . . 25.0 111.272 -177.116 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.3 m -122.23 150.76 41.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.74 -134.39 51.75 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 120.921 -0.657 . . . . 25.0 112.802 176.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -58.35 -31.03 67.22 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -179.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -59.86 -36.07 76.11 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.751 0.705 . . . . 25.0 110.636 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.4 tp -68.0 -45.21 74.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.987 0.423 . . . . 25.0 110.112 179.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.3 t -64.82 -43.14 96.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.187 -178.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.34 -34.29 77.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.892 0.377 . . . . 25.0 110.675 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.9 -34.18 66.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.779 0.323 . . . . 25.0 110.323 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.26 -34.16 77.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.825 0.306 . . . . 25.0 111.825 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -61.46 -35.81 78.67 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 120.946 -0.302 . . . . 25.0 110.365 176.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.88 -48.03 48.64 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 178.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.42 -42.12 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.51 -171.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -97.44 -8.19 29.94 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.624 -0.43 . . . . 25.0 112.078 -178.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.1 -154.56 51.37 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.212 -0.994 . . . . 25.0 113.213 175.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -68.27 -6.51 24.3 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.552 0.945 . . . . 25.0 113.552 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -67.48 -21.94 65.5 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 122.232 -0.293 . . . . 25.0 111.27 179.257 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.63 179.33 50.34 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.932 -0.652 . . . . 25.0 112.51 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -165.83 -177.7 4.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 -175.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -132.3 161.31 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.598 -1.26 . . . . 25.0 107.598 174.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -142.41 139.44 31.65 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 -178.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.5 p -111.93 95.46 29.19 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.208 -0.451 . . . . 25.0 111.002 -178.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -71.84 159.48 50.44 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 118.053 -0.831 . . . . 25.0 111.709 178.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 84.93 7.42 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 122.363 1.077 . . . . 25.0 109.428 178.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.21 -0.994 0 CA-C-O 124.441 2.067 . . . . 25.0 112.005 -178.432 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.797 0 N-CA-C 111.614 -0.594 . . . . 25.0 111.614 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 tt -63.43 -36.86 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 113.261 0.837 . . . . 25.0 113.261 -175.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p -67.33 -32.5 57.67 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.557 0 O-C-N 121.542 -0.724 . . . . 25.0 110.765 -179.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -68.73 -44.83 72.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.118 -0.697 . . . . 25.0 109.118 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.14 -39.44 82.39 Favored 'General case' 0 C--O 1.22 -0.475 0 O-C-N 123.062 0.226 . . . . 25.0 111.369 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.5 m -75.98 -36.74 59.12 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.2 m -75.39 -51.14 13.81 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.807 0.669 . . . . 25.0 112.807 -177.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -87.95 -19.82 26.75 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.399 0.889 . . . . 25.0 113.399 -174.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -136.61 -175.29 3.97 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 -176.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.8 mm -71.32 120.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 121.393 -0.817 . . . . 25.0 111.981 -166.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 t -94.34 90.52 6.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.911 -1.04 . . . . 25.0 108.21 178.02 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.8 p -77.54 165.95 23.68 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 -179.151 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.07 -28.98 66.98 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 111.906 0.336 . . . . 25.0 111.906 179.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.79 -37.82 82.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.335 0.588 . . . . 25.0 110.927 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.37 -40.44 81.43 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.642 -0.873 . . . . 25.0 108.642 177.255 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.2 -36.94 83.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.951 -0.568 . . . . 25.0 112.226 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.39 -30.98 67.23 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 178.302 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.85 -26.82 66.23 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 -177.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -72.27 -6.79 45.55 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.085 0.469 . . . . 25.0 110.903 179.504 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.7 m -110.47 40.16 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.01 0.909 . . . . 25.0 110.378 -175.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 C--O 1.213 -0.845 0 CA-C-O 123.428 1.585 . . . . 25.0 111.204 -179.484 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 74.5 t80 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.059 -0.349 . . . . 25.0 110.059 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.6 t -95.82 112.42 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -64.7 134.75 54.87 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 178.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -159.91 159.71 32.69 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 105.326 -2.101 . . . . 25.0 105.326 175.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -68.24 137.64 54.92 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 170.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.3 mt -135.66 121.86 20.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.922 0.392 . . . . 25.0 111.08 -175.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -144.58 164.24 31.52 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.04 -143.88 48.62 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.821 -0.704 . . . . 25.0 112.311 178.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -27.72 68.72 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -63.47 -36.04 82.44 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 122.089 -0.382 . . . . 25.0 110.449 178.133 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.8 tp -67.15 -43.08 83.22 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 178.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.89 -42.63 96.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.919 -179.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -63.77 -34.66 78.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.03 0.443 . . . . 25.0 110.935 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.68 -36.37 73.28 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.789 -0.364 . . . . 25.0 110.474 179.422 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.98 -35.93 82.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.564 -0.289 . . . . 25.0 111.674 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -59.03 -38.36 79.12 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 110.139 -0.319 . . . . 25.0 110.139 176.576 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.8 mt -71.77 -48.43 46.73 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.791 1.034 . . . . 25.0 113.791 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.64 -40.8 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.231 0.538 . . . . 25.0 110.936 -171.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -99.93 -10.89 21.16 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.824 0.676 . . . . 25.0 112.824 -175.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.25 -140.95 38.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.04 -1.076 . . . . 25.0 113.748 176.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -7.27 36.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 116.595 2.072 . . . . 25.0 116.595 -176.455 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -75.21 -15.21 60.56 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 119.02 0.827 . . . . 25.0 111.576 -177.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.24 176.97 51.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.192 -0.528 . . . . 25.0 112.459 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -167.57 179.25 4.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.06 -2.2 . . . . 25.0 105.06 -177.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -128.76 162.42 27.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.453 0.644 . . . . 25.0 110.202 174.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -141.37 159.66 41.76 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 105.51 -2.033 . . . . 25.0 105.51 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.1 p -105.86 93.21 7.21 Favored Pre-proline 0 C--O 1.247 0.96 0 CA-C-O 120.903 0.382 . . . . 25.0 111.464 179.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -73.54 168.18 25.42 Favored 'Trans proline' 0 C--N 1.35 0.62 0 N-CA-C 110.594 -0.579 . . . . 25.0 110.594 177.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -106.08 98.87 8.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 -176.015 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.212 -0.874 0 CA-C-O 124.456 2.074 . . . . 25.0 111.134 -175.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 111.657 -0.577 . . . . 25.0 111.657 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.1 tt -64.07 -36.99 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 -175.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.84 -31.76 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 121.874 -0.516 . . . . 25.0 110.738 -179.257 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -65.62 -42.57 91.4 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 121.797 -0.564 . . . . 25.0 109.706 177.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -57.76 -45.1 86.37 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 110.19 -0.3 . . . . 25.0 110.19 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 m -75.14 -28.18 60.07 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.61 -0.436 . . . . 25.0 111.945 -176.663 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.2 m -73.87 -53.35 10.39 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 121.031 -0.268 . . . . 25.0 111.65 178.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -88.1 -16.58 33.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.345 0.869 . . . . 25.0 113.345 -172.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.433 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.7 t -141.95 -168.31 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 178.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.39 116.22 50.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 O-C-N 121.73 -0.606 . . . . 25.0 109.579 -176.033 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.9 m -75.75 130.98 39.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 173.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.7 p -74.09 166.6 23.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.864 -1.532 . . . . 25.0 106.864 174.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.81 -31.83 68.81 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 120.849 -0.341 . . . . 25.0 111.284 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -65.16 -38.46 90.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.428 0.632 . . . . 25.0 111.5 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -69.49 -39.48 77.62 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 177.6 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.38 -35.47 80.99 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.327 0.491 . . . . 25.0 112.327 179.222 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -55.22 -30.23 59.59 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.286 0.476 . . . . 25.0 112.286 177.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -62.66 -26.87 68.86 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 -179.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -62.85 -22.66 66.84 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 122.26 -0.275 . . . . 25.0 110.787 178.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.6 p -130.93 44.74 2.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.073 0.94 . . . . 25.0 109.402 175.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 C--O 1.21 -0.975 0 CA-C-O 124.051 1.882 . . . . 25.0 112.26 -179.078 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.76 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.99 123.64 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 107.443 -1.317 . . . . 25.0 107.443 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -79.26 126.84 31.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 C-N-CA 120.266 -0.574 . . . . 25.0 110.344 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -160.18 149.78 17.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 105.516 -2.031 . . . . 25.0 105.516 174.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.4 m-70 -72.67 141.56 48.26 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 173.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.3 mt -130.27 105.35 7.85 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.629 0.371 . . . . 25.0 110.702 -172.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 t -133.33 -17.46 2.33 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.01 1.485 . . . . 25.0 115.01 -177.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.76 -137.3 6.36 Favored Glycine 0 C--O 1.229 -0.192 0 N-CA-C 110.092 -1.203 . . . . 25.0 110.092 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.2 p -55.95 -26.9 50.03 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.986 0.422 . . . . 25.0 111.719 176.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -55.61 -36.25 66.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 177.074 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.4 tp -67.98 -40.13 83.19 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.593 -0.521 . . . . 25.0 109.593 -177.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 52.1 t -67.25 -42.97 88.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.229 0.538 . . . . 25.0 110.106 177.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.73 -34.86 78.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.456 . . . . 25.0 110.674 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.93 74.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.502 -0.317 . . . . 25.0 110.315 179.558 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -65.2 -29.69 70.53 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -178.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -58.5 -42.41 87.59 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.068 0.461 . . . . 25.0 110.175 174.649 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.4 mt -71.99 -44.07 64.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.063 0.458 . . . . 25.0 112.161 -178.083 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -75.4 -41.46 42.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.917 -0.583 . . . . 25.0 111.82 -172.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -16.45 47.11 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.439 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.82 -158.59 53.72 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-O 121.939 0.744 . . . . 25.0 113.249 177.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.99 -6.41 16.75 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -178.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -65.66 -24.71 67.09 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.708 0.289 . . . . 25.0 111.516 178.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.38 174.52 50.39 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 108.725 -1.75 . . . . 25.0 108.725 -174.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -163.05 177.26 9.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 -176.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -131.14 160.65 34.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 173.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -150.12 140.97 22.79 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.025 -1.472 . . . . 25.0 107.025 178.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 27.9 p -95.04 105.64 20.56 Favored Pre-proline 0 C--O 1.242 0.69 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 178.485 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -73.8 153.0 47.93 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 115.917 -2.255 . . . . 25.0 112.367 -179.381 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -85.52 94.97 9.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.207 -1.146 0 CA-C-O 123.169 1.462 . . . . 25.0 112.137 -177.411 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.785 0 CA-C-O 118.136 -1.369 . . . . 25.0 111.267 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -56.2 -38.19 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 119.256 1.528 . . . . 25.0 113.834 -170.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.37 -42.4 96.19 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.602 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 179.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -65.23 -40.5 94.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.364 -0.21 . . . . 25.0 111.102 179.383 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -60.9 -43.67 98.19 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 120.483 -0.487 . . . . 25.0 110.012 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.8 m -73.23 -29.88 63.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.2 t -70.11 -51.13 34.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.835 0.35 . . . . 25.0 110.589 -178.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 t -87.97 -22.69 24.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 -174.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.48 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.7 t -137.62 -176.99 4.6 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.512 -0.742 . . . . 25.0 110.858 -178.437 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.3 mm -70.55 122.05 21.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 122.073 0.939 . . . . 25.0 112.103 -166.03 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -94.91 86.17 4.59 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.864 -1.162 . . . . 25.0 107.864 177.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.8 p -73.99 171.58 13.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.676 -0.693 . . . . 25.0 109.215 -179.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.45 -27.84 66.44 Favored 'General case' 0 C--O 1.219 -0.537 0 O-C-N 122.315 -0.241 . . . . 25.0 111.245 178.057 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -71.28 -38.31 71.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.091 0.472 . . . . 25.0 110.46 179.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -67.0 -39.83 87.21 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 177.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.64 -36.99 85.3 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.897 179.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.15 -31.43 68.96 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.095 -0.378 . . . . 25.0 111.906 177.12 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -66.02 -26.83 67.71 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.578 0.584 . . . . 25.0 112.578 -179.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.1 -26.35 63.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.897 0.379 . . . . 25.0 110.21 177.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -73.64 135.7 43.81 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--O 1.207 -1.143 0 CA-C-O 123.914 1.816 . . . . 25.0 112.501 -179.925 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 119.001 -0.524 . . . . 25.0 109.774 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -132.67 143.55 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 106.703 -1.591 . . . . 25.0 106.703 -178.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -64.36 137.73 58.05 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.278 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -160.05 140.0 11.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.43 -0.805 . . . . 25.0 109.802 176.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 78.7 m-70 -74.29 141.09 45.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.272 -1.751 . . . . 25.0 106.272 166.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -138.44 119.37 14.31 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 117.986 0.357 . . . . 25.0 110.105 -177.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -131.49 -57.05 1.01 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -176.359 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.74 -143.35 4.78 Favored Glycine 0 C--O 1.224 -0.512 0 C-N-CA 121.336 -0.459 . . . . 25.0 112.234 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -26.26 8.03 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.314 1.227 . . . . 25.0 114.314 179.322 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -56.46 -36.38 68.99 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.27 0.47 . . . . 25.0 112.27 175.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.57 -42.18 82.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.182 0.515 . . . . 25.0 110.186 -178.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.95 -42.62 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.369 179.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.45 -32.69 74.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.02 0.438 . . . . 25.0 111.321 -179.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.57 -34.52 65.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.876 0.369 . . . . 25.0 110.25 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.49 -30.7 71.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -59.24 -39.82 84.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.948 0.404 . . . . 25.0 110.15 175.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.0 mt -71.9 -44.62 63.42 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.05 -39.92 21.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.894 0.378 . . . . 25.0 111.364 -172.444 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -22.64 47.63 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.81 -0.756 . . . . 25.0 109.447 177.44 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.72 -148.43 50.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.345 -0.931 . . . . 25.0 111.83 179.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.28 -6.44 23.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -178.595 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -66.34 -26.85 67.48 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.016 -0.428 . . . . 25.0 111.407 178.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.83 168.4 39.25 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 109.127 -1.589 . . . . 25.0 109.127 -174.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -157.63 176.7 12.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -177.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -130.96 162.62 29.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 175.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -150.96 155.01 38.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 177.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 60.0 p -115.28 85.02 12.21 Favored Pre-proline 0 C--O 1.245 0.826 0 CA-C-O 120.878 0.37 . . . . 25.0 110.729 179.004 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.62 157.75 48.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 N-CA-C 111.002 -0.422 . . . . 25.0 111.002 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -138.62 111.96 8.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.957 -1.127 . . . . 25.0 107.957 -178.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.207 -1.143 0 CA-C-O 123.566 1.65 . . . . 25.0 113.315 -177.009 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.088 0 CA-C-O 118.924 -0.931 . . . . 25.0 111.638 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.7 tt -63.96 -35.16 72.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 118.979 1.39 . . . . 25.0 113.792 -174.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 p -66.74 -37.42 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 121.154 -0.966 . . . . 25.0 109.438 177.042 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -65.55 -36.51 84.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.287 -0.415 . . . . 25.0 110.112 179.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.84 -45.16 93.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.824 0.345 . . . . 25.0 110.659 179.297 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -79.91 -12.65 59.72 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.294 0.479 . . . . 25.0 112.294 -179.493 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -86.98 -42.68 12.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 25.0 110.032 179.127 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -83.94 -26.59 29.16 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 -177.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.447 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 12.2 t -136.38 179.01 6.62 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 107.299 -1.371 . . . . 25.0 107.299 177.557 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.77 114.94 36.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 118.881 0.764 . . . . 25.0 109.117 -176.221 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.1 m -75.93 118.05 18.31 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.663 -1.606 . . . . 25.0 106.663 171.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.3 p -71.77 170.74 12.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.351 -1.352 . . . . 25.0 107.351 176.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.07 -30.05 63.98 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 111.951 0.352 . . . . 25.0 111.951 -179.625 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -69.02 -37.99 78.96 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 121.27 0.557 . . . . 25.0 111.173 179.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -72.37 -38.47 68.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 178.001 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.13 -32.41 73.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.929 -0.578 . . . . 25.0 112.067 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -56.03 -27.09 51.73 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 176.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -62.54 -26.76 68.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -69.61 -18.18 63.59 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.63 0.253 . . . . 25.0 111.226 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.4 p -134.75 40.39 2.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.224 1.012 . . . . 25.0 109.727 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 . . . . . 0 C--O 1.208 -1.079 0 CA-C-O 124.001 1.858 . . . . 25.0 112.454 178.631 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.7 t80 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 119.058 -0.496 . . . . 25.0 109.747 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 92.3 t -126.16 128.75 71.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.085 -1.82 . . . . 25.0 106.085 179.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -71.54 127.74 33.57 Favored 'General case' 0 CA--C 1.506 -0.735 0 C-N-CA 120.106 -0.637 . . . . 25.0 109.848 -179.445 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -158.64 151.42 22.19 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 103.075 -2.935 . . . . 25.0 103.075 173.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 68.8 m-70 -66.77 142.91 57.21 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 175.085 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.05 112.98 21.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.999 0.428 . . . . 25.0 110.078 -176.639 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.42 151.01 50.92 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 179.342 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.54 -139.95 48.27 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.689 -0.767 . . . . 25.0 112.271 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -26.44 66.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.848 1.055 . . . . 25.0 113.848 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -61.71 -30.07 70.52 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.84 -0.538 . . . . 25.0 111.008 178.718 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.53 -41.56 72.39 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-O 120.867 0.365 . . . . 25.0 110.253 178.215 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.6 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.43 0.633 . . . . 25.0 109.83 178.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -63.66 -35.97 82.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.086 -0.506 . . . . 25.0 111.024 179.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.76 -38.71 73.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.961 0.41 . . . . 25.0 110.27 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.59 -31.69 73.02 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -178.098 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.93 -41.69 83.28 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.712 -0.395 . . . . 25.0 110.705 176.348 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.95 -43.01 65.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.617 0.599 . . . . 25.0 112.617 -179.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.55 -43.2 48.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.89 0.376 . . . . 25.0 111.476 -173.3 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -80.97 -20.22 42.39 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.199 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.95 -152.4 51.87 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.557 -0.83 . . . . 25.0 112.426 178.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -68.07 -6.15 21.26 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.036 1.125 . . . . 25.0 114.036 -178.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -68.72 -25.9 64.99 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.782 0.325 . . . . 25.0 110.534 177.293 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.33 179.68 52.89 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 110.587 -1.005 . . . . 25.0 110.587 -176.377 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -164.57 177.53 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.322 -2.103 . . . . 25.0 105.322 -178.102 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -128.42 160.15 33.16 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 176.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -147.34 140.5 25.2 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 179.222 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -94.78 107.84 33.58 Favored Pre-proline 0 C--O 1.241 0.649 0 N-CA-C 110.521 -0.177 . . . . 25.0 110.521 179.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -74.35 170.57 19.91 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 118.201 -0.733 . . . . 25.0 112.724 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.82 102.46 8.21 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.434 -1.321 . . . . 25.0 107.434 176.701 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.21 -1.009 0 CA-C-O 125.238 2.447 . . . . 25.0 112.788 -177.377 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.57 -0.612 . . . . 25.0 111.57 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -61.56 -35.25 65.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.712 1.005 . . . . 25.0 113.712 -174.08 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 p -69.44 -33.38 57.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.724 -0.61 . . . . 25.0 110.664 179.374 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -67.28 -46.01 74.89 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 176.609 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -59.59 -39.98 85.94 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.708 -179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.1 m -72.92 -28.55 62.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.542 0.941 . . . . 25.0 113.542 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.04 -48.04 11.89 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -86.01 -19.39 30.42 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.148 0.425 . . . . 25.0 112.148 -174.7 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -141.67 -176.29 4.7 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 178.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.82 122.17 19.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.819 0.819 . . . . 25.0 111.88 -167.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -91.65 85.76 5.78 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 106.996 -1.483 . . . . 25.0 106.996 176.004 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -72.48 167.69 20.07 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.001 -0.741 . . . . 25.0 109.001 -178.329 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.49 -29.4 67.81 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 121.107 -0.237 . . . . 25.0 111.512 179.338 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -67.68 -38.97 84.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.341 0.591 . . . . 25.0 110.971 179.057 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -66.17 -40.21 90.33 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 176.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -64.77 -37.03 86.22 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.36 -34.73 70.98 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.93 -0.481 . . . . 25.0 111.813 177.429 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -64.79 -26.89 68.54 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -178.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -68.07 -25.21 65.23 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.971 -0.455 . . . . 25.0 110.46 178.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.2 m -82.54 109.3 16.62 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 178.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.206 -1.189 0 CA-C-O 123.998 1.856 . . . . 25.0 113.4 -179.29 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 91.6 t80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 119.03 -0.509 . . . . 25.0 110.027 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.53 120.48 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 179.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -64.53 134.75 55.07 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 120.789 0.328 . . . . 25.0 111.134 -179.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.12 158.52 30.42 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 105.402 -2.073 . . . . 25.0 105.402 175.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -69.43 142.62 53.8 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 105.896 -1.89 . . . . 25.0 105.896 168.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.8 mt -136.53 127.56 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 -174.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -138.03 164.11 29.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 176.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.13 -140.96 38.25 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 114.457 0.543 . . . . 25.0 114.457 173.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -29.17 68.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -64.52 -35.44 80.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.152 -0.343 . . . . 25.0 111.006 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.15 -41.7 90.03 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.486 -0.561 . . . . 25.0 109.486 178.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.06 -40.79 86.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.207 -0.451 . . . . 25.0 110.986 179.08 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -61.41 -35.31 77.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.138 0.494 . . . . 25.0 110.513 178.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -34.03 65.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.907 -179.228 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.42 -34.08 77.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.425 -0.172 . . . . 25.0 111.279 179.431 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -59.68 -38.05 80.47 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 120.653 0.263 . . . . 25.0 110.441 175.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.97 -44.0 64.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -179.383 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -76.5 -42.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.281 -0.418 . . . . 25.0 111.797 -171.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.64 -11.99 40.94 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.956 -0.698 . . . . 25.0 110.817 179.039 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.93 -148.05 46.14 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-O 122.532 1.074 . . . . 25.0 113.788 175.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -15.02 61.85 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 116.084 1.883 . . . . 25.0 116.084 -176.784 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -73.3 -14.9 61.39 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.293 0.497 . . . . 25.0 111.569 -177.321 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.22 178.51 52.42 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-O 121.651 0.584 . . . . 25.0 112.952 178.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -166.41 178.39 6.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 103.702 -2.703 . . . . 25.0 103.702 -177.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -134.7 162.49 32.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 170.708 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -146.42 149.5 33.84 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 106.133 -1.803 . . . . 25.0 106.133 179.078 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.9 p -111.54 87.46 7.99 Favored Pre-proline 0 C--O 1.246 0.886 0 CA-C-O 120.717 0.294 . . . . 25.0 111.377 -178.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -72.85 159.3 48.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 N-CA-C 110.505 -0.614 . . . . 25.0 110.505 178.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -136.28 112.89 10.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 -178.435 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.21 -0.992 0 CA-C-O 124.927 2.299 . . . . 25.0 112.174 -178.218 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 CA-C-O 119.542 -0.588 . . . . 25.0 111.639 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.03 -36.2 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 113.845 1.054 . . . . 25.0 113.845 -174.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.27 -35.97 75.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 O-C-N 121.656 -0.653 . . . . 25.0 110.089 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -65.44 -43.3 90.86 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.734 -0.604 . . . . 25.0 109.38 177.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -57.05 -46.78 82.18 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.264 0.353 . . . . 25.0 110.221 179.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.2 m -72.43 -33.46 67.12 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 113.139 0.792 . . . . 25.0 113.139 -177.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.5 m -73.04 -53.42 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 t -87.92 -16.19 34.55 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -172.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -144.79 -175.54 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.93 -0.481 . . . . 25.0 109.731 -178.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mm -68.23 121.52 17.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.807 0.813 . . . . 25.0 111.787 -167.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.58 150.02 20.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 104.835 -2.283 . . . . 25.0 104.835 173.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -141.97 167.38 22.28 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 179.417 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -56.84 -33.45 66.78 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 112.244 0.461 . . . . 25.0 112.244 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -66.22 -40.22 90.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.173 0.511 . . . . 25.0 111.082 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -69.98 -39.52 75.91 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 108.869 -0.789 . . . . 25.0 108.869 178.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.6 mt -60.89 -37.03 80.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.213 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.77 -35.3 68.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.34 0.496 . . . . 25.0 112.34 177.036 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -65.55 -26.9 68.09 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.435 0.902 . . . . 25.0 113.435 -177.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -68.95 -20.96 64.21 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.141 -0.349 . . . . 25.0 110.96 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.6 m -82.31 152.22 26.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 -179.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 t30 . . . . . 0 C--O 1.213 -0.864 0 CA-C-O 124.509 2.1 . . . . 25.0 111.75 178.282 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.9 t80 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 72.4 t -128.23 131.14 69.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 105.802 -1.925 . . . . 25.0 105.802 179.123 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -89.45 141.21 28.77 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -177.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.39 164.53 32.31 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 104.479 -2.415 . . . . 25.0 104.479 170.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -61.1 125.91 25.43 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.811 -1.086 . . . . 25.0 110.275 176.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.52 120.78 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 123.736 0.815 . . . . 25.0 111.194 -177.1 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -142.85 158.85 43.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 177.65 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.86 -139.14 46.44 Favored Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.588 -0.815 . . . . 25.0 112.009 178.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -60.43 -28.64 68.44 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.868 0.692 . . . . 25.0 112.868 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -62.84 -36.63 83.86 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 121.661 -0.649 . . . . 25.0 110.623 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.26 -41.86 84.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 -179.423 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.72 -44.78 98.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.039 -0.528 . . . . 25.0 110.986 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -67.91 -28.25 67.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.689 -0.632 . . . . 25.0 111.814 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.59 -38.52 70.87 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.171 -0.677 . . . . 25.0 109.171 177.131 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.56 -35.28 80.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.476 -0.329 . . . . 25.0 111.828 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -57.01 -41.64 78.85 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 110.356 -0.239 . . . . 25.0 110.356 176.009 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.01 -43.87 64.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -179.064 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -73.96 -41.8 52.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.002 0.429 . . . . 25.0 111.534 -173.312 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.28 -16.88 33.88 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.733 -0.787 . . . . 25.0 111.32 179.382 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.81 -147.07 50.27 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.404 -0.903 . . . . 25.0 112.973 176.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.3 mp0 -68.27 -8.01 35.73 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -177.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -70.94 -22.66 62.19 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.603 0.239 . . . . 25.0 110.598 178.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.24 176.7 51.14 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.287 -0.725 . . . . 25.0 111.287 -177.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -162.3 178.86 8.32 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 -177.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -136.27 164.63 27.64 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.68 -1.23 . . . . 25.0 107.68 174.332 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -148.3 147.27 29.12 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 105.232 -2.136 . . . . 25.0 105.232 177.089 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 25.5 p -118.82 85.0 27.02 Favored Pre-proline 0 C--O 1.24 0.57 0 CA-C-O 121.379 0.609 . . . . 25.0 111.717 -176.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -73.83 170.68 19.49 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 119.824 0.35 . . . . 25.0 112.091 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -134.55 132.37 39.05 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 106.227 -1.768 . . . . 25.0 106.227 177.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.21 -1.016 0 CA-C-O 124.39 2.043 . . . . 25.0 110.928 -176.149 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 CA-C-O 119.033 -0.871 . . . . 25.0 111.257 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.5 tt -59.57 -31.37 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 118.489 1.145 . . . . 25.0 112.796 -175.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.49 -40.6 88.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 122.166 -0.334 . . . . 25.0 110.6 178.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -63.55 -44.84 93.02 Favored 'General case' 0 CA--C 1.51 -0.572 0 O-C-N 121.971 -0.456 . . . . 25.0 110.831 179.152 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -59.32 -39.56 83.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.149 0.281 . . . . 25.0 110.895 -175.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.8 m -80.03 -29.18 39.27 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.956 0.354 . . . . 25.0 111.956 -178.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.1 t -71.95 -48.43 45.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.911 0.386 . . . . 25.0 110.281 -179.267 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -88.06 -19.6 26.89 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 114.348 1.24 . . . . 25.0 114.348 -176.015 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 7.2 t -141.51 -174.75 4.13 Favored 'General case' 0 C--O 1.222 -0.385 0 O-C-N 121.751 -0.593 . . . . 25.0 110.942 -177.799 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.65 117.15 32.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 121.669 -0.644 . . . . 25.0 110.908 -170.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 m -98.76 108.06 20.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 172.509 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.3 t -73.35 168.65 18.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 174.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -52.85 -30.42 33.58 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 113.737 1.014 . . . . 25.0 113.737 -177.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.38 -38.54 90.34 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.225 0.536 . . . . 25.0 111.755 -179.492 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -74.58 -38.37 62.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.609 0.719 . . . . 25.0 109.464 178.313 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.28 -34.91 79.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.377 -0.828 . . . . 25.0 112.5 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -53.11 -28.76 27.06 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.202 0.815 . . . . 25.0 113.202 177.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -61.57 -26.92 68.26 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 179.625 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -71.88 -6.63 43.18 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.287 0.565 . . . . 25.0 111.051 179.042 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 m -110.55 140.76 44.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.883 -1.155 . . . . 25.0 107.883 -177.802 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 114.39 1.256 . . . . 25.0 114.39 -175.699 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.3 t80 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 119.019 -0.515 . . . . 25.0 109.781 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.72 121.92 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -73.49 130.25 39.69 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.171 0.51 . . . . 25.0 110.593 -178.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -160.08 151.98 20.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 104.672 -2.344 . . . . 25.0 104.672 174.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.2 m-70 -72.74 143.86 47.84 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.747 -1.575 . . . . 25.0 106.747 168.316 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.09 111.41 17.42 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.624 0.37 . . . . 25.0 110.99 -177.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.21 153.35 42.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 178.207 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.34 -143.24 48.54 Favored Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.558 -0.829 . . . . 25.0 111.719 -179.398 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 39.6 t -59.8 -29.15 68.02 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.639 0.607 . . . . 25.0 112.639 179.487 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -36.65 75.96 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.625 -0.672 . . . . 25.0 110.762 178.373 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp -68.17 -44.08 76.77 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 179.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.54 -44.92 99.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.121 0.486 . . . . 25.0 110.822 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -67.46 -30.76 70.57 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.174 -0.329 . . . . 25.0 111.673 -178.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.35 79.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.923 -0.486 . . . . 25.0 110.028 178.01 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.09 -31.78 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.49 0.552 . . . . 25.0 112.49 -177.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -59.21 -41.17 87.95 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 109.917 -0.401 . . . . 25.0 109.917 174.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.0 mt -71.8 -44.92 63.14 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.3 -44.83 77.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.813 -0.63 . . . . 25.0 112.367 -171.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 94.8 m -94.9 -8.79 36.15 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.568 -0.453 . . . . 25.0 111.214 -178.155 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.86 -145.18 45.98 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-O 122.395 0.997 . . . . 25.0 113.661 174.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -68.96 -6.94 30.71 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -175.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -74.84 -15.38 60.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.276 0.944 . . . . 25.0 111.542 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.87 175.9 51.04 Favored Glycine 0 CA--C 1.517 0.172 0 N-CA-C 111.634 -0.587 . . . . 25.0 111.634 -177.133 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -164.62 176.52 8.82 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 -177.607 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -132.96 168.97 17.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 173.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -130.29 145.97 51.83 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.499 -1.296 . . . . 25.0 107.499 178.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.66 98.33 20.24 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 108.547 -0.908 . . . . 25.0 108.547 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.89 170.78 17.51 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 121.555 1.503 . . . . 25.0 111.469 -178.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -152.25 158.08 42.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 105.515 -2.031 . . . . 25.0 105.515 178.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.316 -0.872 0 CA-C-O 123.754 1.74 . . . . 25.0 111.618 177.886 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.807 0 CA-C-O 119.069 -0.851 . . . . 25.0 111.576 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -61.12 -39.59 82.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 118.673 1.236 . . . . 25.0 114.123 -173.156 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p -67.51 -34.88 71.17 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 O-C-N 121.726 -0.609 . . . . 25.0 110.052 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -65.78 -43.2 89.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.778 -0.453 . . . . 25.0 109.778 178.41 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.01 -41.23 97.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.373 -0.376 . . . . 25.0 110.501 -179.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.5 m -72.68 -28.06 62.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.477 0.547 . . . . 25.0 112.477 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -72.08 -45.04 62.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.253 -0.43 . . . . 25.0 110.436 178.337 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 t -87.76 -19.68 27.22 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -175.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.1 p -137.16 179.0 6.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.702 -0.624 . . . . 25.0 110.576 -177.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -74.84 115.42 16.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.829 0.823 . . . . 25.0 109.282 -170.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 t -88.46 75.73 8.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.995 -1.002 . . . . 25.0 108.298 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 m -64.82 168.39 6.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.617 -0.72 . . . . 25.0 110.481 -179.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.85 -27.89 45.79 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -67.67 -38.1 83.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.19 0.519 . . . . 25.0 110.89 178.249 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -71.32 -38.72 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 178.469 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.02 -34.56 78.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.623 -0.717 . . . . 25.0 112.082 179.514 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.35 -26.61 65.21 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 122.071 -0.393 . . . . 25.0 111.935 176.6 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.69 -27.0 62.74 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 122.028 -0.42 . . . . 25.0 111.614 178.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -79.06 -28.13 43.15 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.836 -0.802 . . . . 25.0 108.836 175.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.5 t -75.19 95.49 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.831 -1.077 . . . . 25.0 112.331 -170.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 C--O 1.213 -0.847 0 CA-C-O 124.521 2.105 . . . . 25.0 111.419 -179.997 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.2 t80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 119.016 -0.516 . . . . 25.0 109.766 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.2 t -120.93 126.97 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 106.778 -1.564 . . . . 25.0 106.778 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.32 125.74 29.6 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 120.145 -0.622 . . . . 25.0 110.936 -178.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -160.28 153.71 22.2 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 104.283 -2.488 . . . . 25.0 104.283 173.213 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -68.51 144.71 54.52 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.584 -1.636 . . . . 25.0 106.584 171.537 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.3 mt -129.57 117.51 20.55 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 -176.002 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -132.94 -55.8 0.93 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -174.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.61 -145.57 5.69 Favored Glycine 0 C--O 1.225 -0.424 0 N-CA-C 111.599 -0.601 . . . . 25.0 111.599 178.011 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -21.05 7.16 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.282 1.215 . . . . 25.0 114.282 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -55.85 -35.35 66.35 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.914 0.339 . . . . 25.0 111.914 173.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.92 -42.6 89.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.176 0.512 . . . . 25.0 109.804 -178.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.47 -41.74 83.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 25.0 110.429 179.316 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.0 -34.24 77.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.842 0.354 . . . . 25.0 110.99 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.44 -33.45 62.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.662 -0.245 . . . . 25.0 110.689 179.561 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.73 -32.72 74.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 119.638 -0.22 . . . . 25.0 111.518 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -58.89 -38.22 78.36 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.843 -0.343 . . . . 25.0 110.55 175.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -71.84 -42.63 66.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 -179.411 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -74.27 -42.48 50.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.151 -0.477 . . . . 25.0 110.256 -174.358 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -78.44 -25.42 45.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.541 -0.3 . . . . 25.0 111.548 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.64 -141.96 46.04 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.091 -1.052 . . . . 25.0 110.953 -177.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -69.88 -9.34 54.52 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.145 1.535 . . . . 25.0 115.145 -178.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -73.2 -18.43 61.25 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.44 1.018 . . . . 25.0 111.438 -177.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.11 174.87 43.78 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.267 -0.492 . . . . 25.0 112.933 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -167.6 176.17 6.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.323 -2.103 . . . . 25.0 105.323 -179.723 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -137.81 163.14 32.14 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 172.224 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -140.83 140.92 34.74 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 177.599 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.8 p -112.32 110.78 53.07 Favored Pre-proline 0 C--O 1.244 0.772 0 CA-C-N 116.687 -0.233 . . . . 25.0 111.316 -177.361 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -69.06 158.21 58.76 Favored 'Trans proline' 0 C--N 1.351 0.708 0 N-CA-C 110.317 -0.686 . . . . 25.0 110.317 176.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -131.82 84.8 2.19 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 122.138 0.97 . . . . 25.0 111.878 -173.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.214 -0.813 0 CA-C-O 124.867 2.27 . . . . 25.0 111.153 179.469 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.471 -0.652 . . . . 25.0 111.471 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -68.78 -30.88 48.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 114.063 1.134 . . . . 25.0 114.063 -173.646 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.35 -49.7 77.17 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 O-C-N 121.157 -0.965 . . . . 25.0 111.596 -176.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -70.71 -28.68 64.92 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.054 -0.658 . . . . 25.0 109.728 -179.095 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -61.83 -44.21 97.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.625 -0.261 . . . . 25.0 110.342 177.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.3 m -83.24 -17.69 41.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.934 0.397 . . . . 25.0 112.036 179.591 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.7 t -73.93 -44.33 55.39 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.692 -0.484 . . . . 25.0 109.692 176.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 t -88.13 -26.57 22.4 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.142 0.793 . . . . 25.0 113.142 -178.014 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 m -126.0 172.07 10.26 Favored 'General case' 0 C--O 1.204 -1.32 0 O-C-N 122.057 -0.402 . . . . 25.0 110.874 -178.611 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -67.84 -43.39 86.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 N-CA-C 115.035 1.494 . . . . 25.0 115.035 -164.189 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 m 55.17 89.83 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.007 0.908 . . . . 25.0 112.82 -173.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.2 p -65.12 168.18 7.04 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 175.441 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.64 -28.09 30.92 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -177.452 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -67.5 -36.24 80.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.236 0.541 . . . . 25.0 111.596 179.154 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -73.9 -38.93 64.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.72 -0.844 . . . . 25.0 108.72 177.076 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.22 -32.15 73.48 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.781 -0.645 . . . . 25.0 112.408 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.76 -25.76 20.41 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.225 0.824 . . . . 25.0 113.225 177.204 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -63.72 -26.94 68.88 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.703 0.631 . . . . 25.0 112.703 178.652 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -78.76 -12.42 60.02 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.38 148.05 50.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.586 0.707 . . . . 25.0 112.04 -170.046 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.5 t30 . . . . . 0 C--O 1.207 -1.138 0 CA-C-O 124.365 2.031 . . . . 25.0 113.335 -177.837 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 119.078 -0.487 . . . . 25.0 109.769 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 82.0 t -123.22 122.75 66.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 106.543 -1.651 . . . . 25.0 106.543 179.106 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.24 126.28 29.05 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 121.081 0.467 . . . . 25.0 111.111 -177.198 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -159.88 148.17 17.17 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.628 -2.36 . . . . 25.0 104.628 176.186 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -66.8 143.19 57.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.132 -1.062 . . . . 25.0 108.132 171.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.05 105.27 12.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.423 0.63 . . . . 25.0 111.016 -175.515 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -139.95 152.92 46.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 179.468 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.5 -142.51 48.0 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.601 -0.809 . . . . 25.0 111.545 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -27.85 66.69 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 179.447 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -61.93 -35.04 77.25 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.958 -0.464 . . . . 25.0 111.142 179.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.1 tp -65.44 -44.45 87.27 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 178.139 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.08 -42.84 98.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.132 0.491 . . . . 25.0 110.494 -179.358 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.18 -36.33 83.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.04 0.448 . . . . 25.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.82 68.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.919 0.39 . . . . 25.0 110.266 -178.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.2 mt -67.04 -29.46 69.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.577 0.584 . . . . 25.0 112.577 -177.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.86 -37.4 81.98 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.622 -0.431 . . . . 25.0 110.146 174.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.3 mt -71.82 -43.02 66.29 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 179.635 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.3 t -71.78 -43.9 69.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 25.0 110.603 -174.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -80.25 -24.71 39.95 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.596 -0.441 . . . . 25.0 111.773 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.54 -137.21 50.04 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 109.649 -1.381 . . . . 25.0 109.649 -176.271 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.47 -8.81 53.9 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 114.494 1.294 . . . . 25.0 114.494 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -70.02 -26.75 64.2 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.778 -0.576 . . . . 25.0 112.479 -178.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.93 170.74 36.23 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.776 -0.726 . . . . 25.0 112.828 -177.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -160.7 176.71 11.22 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.414 -2.069 . . . . 25.0 105.414 -177.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -137.16 163.15 31.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.823 -1.547 . . . . 25.0 106.823 175.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -144.08 140.84 29.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 178.746 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.0 p -116.68 120.88 33.75 Favored Pre-proline 0 C--O 1.242 0.705 0 N-CA-C 107.878 -1.156 . . . . 25.0 107.878 177.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -73.32 166.98 28.49 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 117.868 -0.954 . . . . 25.0 112.336 -177.66 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -132.73 99.6 4.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.204 -1.036 . . . . 25.0 108.204 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.206 -1.196 0 CA-C-O 123.634 1.683 . . . . 25.0 113.709 -178.636 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.858 0 CA-C-O 119.247 -0.751 . . . . 25.0 111.783 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -64.9 -41.05 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-N 118.505 1.153 . . . . 25.0 113.105 -176.267 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.56 -32.36 56.65 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 O-C-N 121.7 -0.625 . . . . 25.0 110.088 179.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -63.89 -45.72 88.1 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 178.069 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -65.37 -39.24 92.05 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-N 116.639 -0.255 . . . . 25.0 111.214 179.188 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 m -69.93 -34.32 73.31 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -178.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.9 m -74.76 -47.77 29.25 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 178.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -88.06 -19.41 27.13 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -174.337 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -139.36 -174.44 3.87 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 -177.208 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm -74.92 116.83 18.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 121.452 -0.78 . . . . 25.0 111.461 -167.594 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -87.23 82.15 7.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 175.202 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.9 p -69.97 169.36 13.45 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.766 -0.827 . . . . 25.0 108.766 -178.457 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.46 -28.59 63.49 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 120.588 0.232 . . . . 25.0 111.561 179.303 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -69.82 -38.27 76.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.213 0.53 . . . . 25.0 111.114 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.4 -41.18 76.75 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 177.367 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.84 -36.58 83.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 25.0 111.983 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -57.69 -28.96 64.27 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 178.615 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -70.72 -26.94 63.62 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.546 0.572 . . . . 25.0 112.546 179.88 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.03 -17.01 48.28 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.789 0.804 . . . . 25.0 109.67 177.703 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.1 158.68 20.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 122.474 1.131 . . . . 25.0 113.994 -166.193 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.2 t30 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 124.846 2.26 . . . . 25.0 110.695 174.146 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.3 t80 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 119.112 -0.47 . . . . 25.0 109.828 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.7 t -119.23 129.12 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 107.361 -1.348 . . . . 25.0 107.361 179.747 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -73.13 132.88 43.81 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.376 0.132 . . . . 25.0 110.74 -179.317 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -160.42 149.21 16.94 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.704 0.764 . . . . 25.0 108.982 178.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -73.91 125.26 27.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.664 -1.153 . . . . 25.0 108.247 172.049 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.9 118.56 28.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.622 0.601 . . . . 25.0 112.622 -176.002 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.5 t -138.48 159.14 42.84 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 177.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.92 -138.38 49.61 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.872 -0.68 . . . . 25.0 112.74 178.006 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.3 p -60.97 -28.7 69.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.004 0.742 . . . . 25.0 113.004 -179.465 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -63.14 -35.84 81.61 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.627 -0.671 . . . . 25.0 110.703 178.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.29 -42.23 88.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.5 t -64.2 -44.86 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.894 179.228 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -65.52 -30.85 71.66 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 121.78 -0.575 . . . . 25.0 111.997 -178.88 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 -35.47 74.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.87 0.367 . . . . 25.0 110.592 179.144 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.9 -29.1 69.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 -177.404 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -59.41 -39.72 84.37 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 176.179 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.3 mt -71.35 -41.52 69.66 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -177.751 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.59 -36.89 42.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.186 -174.372 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -82.48 -28.25 31.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.014 -0.675 . . . . 25.0 112.493 178.785 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.92 -135.43 51.99 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 109.772 -1.331 . . . . 25.0 109.772 -175.463 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -68.23 -10.13 52.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 114.552 1.316 . . . . 25.0 114.552 -179.011 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -68.33 -24.68 64.85 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.034 0.753 . . . . 25.0 113.034 -178.455 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.26 170.58 23.63 Favored Glycine 0 C--O 1.221 -0.682 0 N-CA-C 109.697 -1.361 . . . . 25.0 109.697 -174.284 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -157.51 174.98 14.56 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 -179.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -134.19 165.04 26.01 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 178.164 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -151.2 150.47 30.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 177.033 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.0 p -117.25 85.09 18.57 Favored Pre-proline 0 C--O 1.245 0.866 0 CA-C-O 120.97 0.414 . . . . 25.0 111.28 -179.402 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.28 165.65 29.02 Favored 'Trans proline' 0 C--N 1.346 0.402 0 N-CA-C 110.951 -0.442 . . . . 25.0 110.951 178.219 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -142.89 147.21 34.94 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 106.356 -1.72 . . . . 25.0 106.356 179.141 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.21 -0.978 0 CA-C-O 125.134 2.397 . . . . 25.0 112.215 -177.741 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.424 0 CA-C-O 118.187 -1.341 . . . . 25.0 111.387 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 tt -60.04 -37.01 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 120.098 1.949 . . . . 25.0 112.925 -172.358 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.77 -41.17 87.51 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 CA-C-O 121.526 0.679 . . . . 25.0 109.892 178.015 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.46 -41.28 96.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 25.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -63.84 -41.92 97.72 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.299 -179.461 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.6 m -75.26 -16.75 60.43 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 -179.063 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -82.52 -44.56 15.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.387 -0.37 . . . . 25.0 110.446 176.681 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 t -83.66 -26.85 29.53 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -176.442 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.442 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 87.8 p -134.01 -179.45 5.56 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -98.76 115.14 38.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 -177.648 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.5 m -78.1 117.07 19.04 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 174.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -66.37 163.14 18.85 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 175.116 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.26 -33.29 52.44 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -178.377 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -63.51 -38.04 89.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.382 0.611 . . . . 25.0 112.269 179.44 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -73.6 -38.13 65.22 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 178.044 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.2 -33.96 76.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 25.0 112.406 179.478 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.67 -23.33 27.74 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 177.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -63.48 -26.78 68.88 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 178.346 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -73.95 -10.74 59.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.064 0.459 . . . . 25.0 111.108 179.14 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.1 m -97.42 132.97 42.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.159 0.98 . . . . 25.0 110.409 -175.32 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.214 -0.778 0 CA-C-O 124.942 2.306 . . . . 25.0 112.317 179.707 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.1 t80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 119.092 -0.48 . . . . 25.0 109.733 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -101.93 122.23 53.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.8 107.67 12.76 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 121.407 0.622 . . . . 25.0 111.071 -178.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -147.07 143.85 28.65 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 104.298 -2.482 . . . . 25.0 104.298 174.187 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 65.5 m-70 -65.6 145.0 56.6 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 175.4 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.94 112.43 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -172.148 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 73.3 m -130.14 153.33 48.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 173.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.42 -136.73 46.34 Favored Glycine 0 C--O 1.228 -0.256 0 C-N-CA 120.941 -0.647 . . . . 25.0 113.444 175.542 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -27.11 65.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 179.877 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -64.82 -35.27 80.56 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.972 -0.455 . . . . 25.0 110.186 177.656 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 tp -69.64 -42.84 73.73 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.71 -43.07 96.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.593 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.87 -33.87 77.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.96 -0.462 . . . . 25.0 111.165 178.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.33 85.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.086 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 99.0 mt -65.69 -34.71 78.83 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.018 0.377 . . . . 25.0 112.018 -179.472 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -60.32 -38.09 82.65 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 110.398 -0.223 . . . . 25.0 110.398 175.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -71.96 -44.28 63.81 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 178.533 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -68.58 -44.93 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.261 -0.427 . . . . 25.0 111.885 -173.046 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.9 m -100.77 -6.1 25.42 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.183 0.438 . . . . 25.0 112.183 -177.067 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.07 -148.95 45.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 119.843 -1.17 . . . . 25.0 113.069 176.007 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -70.86 -6.18 36.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 115.384 1.624 . . . . 25.0 115.384 -177.069 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -72.03 -15.33 62.03 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.318 0.963 . . . . 25.0 111.286 -178.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.98 176.48 50.03 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-O 121.605 0.558 . . . . 25.0 113.006 179.515 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -165.87 179.98 5.59 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 103.727 -2.694 . . . . 25.0 103.727 -178.3 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -134.99 164.52 27.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 177.561 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -148.11 142.37 26.19 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 179.039 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -109.94 97.38 29.08 Favored Pre-proline 0 C--O 1.24 0.56 0 CA-C-O 120.76 0.314 . . . . 25.0 110.914 -178.721 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.89 154.66 48.36 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 117.29 -1.34 . . . . 25.0 112.097 179.1 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -84.9 85.12 7.5 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 122.174 0.987 . . . . 25.0 109.641 178.887 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.208 -1.119 0 CA-C-O 123.545 1.64 . . . . 25.0 113.334 -177.983 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.775 0 CA-C-O 118.613 -1.104 . . . . 25.0 111.297 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.3 tt -63.03 -33.55 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 119.193 1.497 . . . . 25.0 112.544 -173.644 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.28 -43.57 95.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 177.66 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -64.83 -37.84 88.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.333 -0.394 . . . . 25.0 110.663 179.858 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -61.75 -45.21 94.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.746 0.248 . . . . 25.0 110.894 178.128 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.2 m -73.15 -26.2 61.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.861 0.362 . . . . 25.0 111.654 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -75.22 -47.86 26.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.409 -0.36 . . . . 25.0 111.133 -179.196 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -87.19 -19.49 28.33 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.504 0.927 . . . . 25.0 113.504 -173.814 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.44 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 64.1 m -144.31 178.25 8.05 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -179.886 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.78 108.22 20.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.289 -1.004 . . . . 25.0 108.289 -176.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -83.83 143.85 29.66 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 106.101 -1.814 . . . . 25.0 106.101 174.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.2 p -79.77 170.3 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.172 -0.33 . . . . 25.0 110.163 -176.537 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.7 -28.09 68.38 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 120.612 0.244 . . . . 25.0 111.634 178.665 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.46 -39.07 74.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.257 0.551 . . . . 25.0 109.719 179.294 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -68.25 -37.49 80.81 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 177.404 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.36 -36.66 80.83 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.825 176.214 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -63.85 -14.19 51.09 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 178.765 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -64.37 -26.8 68.63 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.679 -0.638 . . . . 25.0 111.336 173.276 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -72.37 -11.81 60.85 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.356 -0.215 . . . . 25.0 111.47 178.734 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 86.0 m -67.37 143.09 56.52 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.334 -0.988 . . . . 25.0 108.334 179.605 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 t30 . . . . . 0 C--O 1.209 -1.034 0 CA-C-O 124.39 2.043 . . . . 25.0 113.413 -178.205 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.4 t80 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -84.53 142.12 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 -178.756 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -79.57 135.7 36.67 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.002 -0.679 . . . . 25.0 110.172 178.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -160.14 148.31 16.82 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 104.243 -2.503 . . . . 25.0 104.243 169.671 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.6 m-70 -71.56 140.75 49.97 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.659 -1.237 . . . . 25.0 107.659 171.391 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.28 105.44 12.55 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -177.237 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 t -139.97 152.32 46.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.374 -0.972 . . . . 25.0 108.374 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.24 -140.19 48.09 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.64 -0.79 . . . . 25.0 111.157 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -59.55 -29.48 67.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 179.787 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.66 -35.02 76.76 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.999 -0.438 . . . . 25.0 111.065 179.762 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.07 -45.38 81.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.668 -0.493 . . . . 25.0 109.668 178.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.15 -42.45 95.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.008 0.432 . . . . 25.0 110.827 -179.405 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.28 -36.3 83.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.951 0.405 . . . . 25.0 110.666 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.36 70.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.976 0.417 . . . . 25.0 109.882 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.44 -32.61 74.1 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.969 0.729 . . . . 25.0 112.969 -177.225 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -58.42 -42.86 88.2 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.731 -0.388 . . . . 25.0 110.311 175.718 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.87 -45.56 60.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 179.538 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -69.85 -39.46 77.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 CA-C-O 121.49 0.662 . . . . 25.0 111.575 -173.239 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -88.67 -23.84 22.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.057 -0.52 . . . . 25.0 111.526 -179.456 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.85 -150.92 51.94 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.007 -1.092 . . . . 25.0 111.316 -177.129 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.35 -6.4 24.1 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.672 1.36 . . . . 25.0 114.672 -178.566 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -66.39 -23.61 66.35 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -177.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.59 152.62 13.61 Favored Glycine 0 C--O 1.228 -0.267 0 CA-C-O 121.831 0.684 . . . . 25.0 112.824 179.131 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -151.25 174.38 13.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 -174.106 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -126.81 164.3 21.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 178.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -144.18 140.92 29.62 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.526 -1.657 . . . . 25.0 106.526 177.752 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -110.13 94.19 17.43 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.957 0.408 . . . . 25.0 110.509 -179.066 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.48 172.23 16.71 Favored 'Trans proline' 0 C--N 1.348 0.515 0 CA-C-O 121.065 0.361 . . . . 25.0 112.077 178.834 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 117.54 28.24 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.844 -0.799 . . . . 25.0 108.844 175.374 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 C--O 1.212 -0.875 0 CA-C-O 122.039 0.923 . . . . 25.0 110.329 178.02 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.38 -0.688 . . . . 25.0 111.38 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.3 tt -63.22 -34.25 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.602 0.964 . . . . 25.0 113.602 -173.441 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.5 p -72.1 -27.13 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 O-C-N 121.268 -0.895 . . . . 25.0 111.232 -179.055 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -71.74 -28.73 63.86 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.515 -0.74 . . . . 25.0 110.539 -179.407 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -56.46 -36.33 68.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.968 0.413 . . . . 25.0 111.065 -178.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.1 m -100.8 -11.96 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.272 0.841 . . . . 25.0 113.272 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.3 t -95.65 -45.36 7.07 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.456 0.91 . . . . 25.0 113.456 -176.433 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 t -75.49 -18.96 59.68 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.171 0.51 . . . . 25.0 111.368 -175.235 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.6 t -150.08 -168.98 3.26 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.5 -1.667 . . . . 25.0 106.5 177.434 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' B' ' 3' ' ' ASN . 33.3 mt -106.87 101.02 11.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.196 0.522 . . . . 25.0 109.691 -172.215 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.0 p -77.14 150.41 35.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 177.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.4 p -87.33 169.71 12.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.566 -0.288 . . . . 25.0 110.362 -177.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.35 -27.97 67.8 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 120.952 0.406 . . . . 25.0 111.289 177.085 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -68.5 -36.37 78.81 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 121.471 0.653 . . . . 25.0 110.354 179.08 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -71.03 -38.18 72.58 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 177.201 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.52 -33.24 73.49 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 112.477 0.547 . . . . 25.0 112.477 178.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -55.68 -27.79 52.07 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.234 0.827 . . . . 25.0 113.234 177.84 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.01 -26.99 67.79 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.813 0.671 . . . . 25.0 112.813 178.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -80.06 -8.28 59.3 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.743 0.417 . . . . 25.0 111.281 -175.681 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.7 m -73.57 150.45 41.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.909 0.861 . . . . 25.0 111.455 -174.71 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.207 -1.155 0 CA-C-O 123.176 1.465 . . . . 25.0 112.487 -179.381 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.9 t80 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.79 139.44 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 -178.782 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.457 ' HB2' HD13 ' A' ' 10' ' ' ILE . 8.6 p30 -80.92 137.86 36.13 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.407 0.622 . . . . 25.0 110.037 179.137 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -159.94 146.59 16.11 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 105.477 -2.046 . . . . 25.0 105.477 173.375 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.503 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 83.6 m-70 -69.06 140.5 54.89 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 105.97 -1.863 . . . . 25.0 105.97 167.589 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 85.5 mt -120.3 105.31 10.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.287 0.565 . . . . 25.0 111.254 -174.668 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 18.1 m -126.25 145.16 50.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.17 -132.47 50.91 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.572 -0.823 . . . . 25.0 113.294 176.485 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -27.27 65.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -62.98 -40.69 98.5 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.589 -0.694 . . . . 25.0 109.651 177.294 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.28 -42.78 87.93 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.62 -45.51 94.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.032 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -66.62 -33.63 76.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.883 -0.511 . . . . 25.0 111.67 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.41 73.58 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.277 -0.638 . . . . 25.0 109.277 179.507 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 mt -66.49 -31.05 71.55 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -177.697 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -57.28 -41.63 80.1 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.751 -0.38 . . . . 25.0 109.998 175.778 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -72.06 -44.8 62.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.212 0.819 . . . . 25.0 113.212 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.96 -40.55 68.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.046 0.45 . . . . 25.0 110.767 -173.529 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -84.74 -22.93 29.5 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.591 -0.444 . . . . 25.0 111.949 -178.714 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.19 -140.16 48.17 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.022 -1.085 . . . . 25.0 111.771 -177.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -67.86 -10.05 49.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -177.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.24 -17.93 62.47 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.076 -0.39 . . . . 25.0 111.856 -179.409 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.0 177.56 29.27 Favored Glycine 0 N--CA 1.452 -0.284 0 N-CA-C 110.794 -0.923 . . . . 25.0 110.794 -177.161 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -161.46 177.8 9.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 -177.076 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -129.8 162.85 27.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -142.13 139.65 32.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 179.424 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.4 p -111.5 95.55 27.55 Favored Pre-proline 0 C--O 1.24 0.572 0 CA-C-O 120.816 0.341 . . . . 25.0 111.007 -177.2 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.19 153.88 46.33 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 117.415 -1.257 . . . . 25.0 111.998 179.317 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 85.78 7.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.783 0.802 . . . . 25.0 109.49 178.423 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 122.676 1.227 . . . . 25.0 111.016 179.339 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.473 0 CA-C-O 119.218 -0.768 . . . . 25.0 111.597 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.6 tt -61.4 -30.89 48.97 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.912 0 CA-C-N 118.323 1.061 . . . . 25.0 113.831 -173.761 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.38 -35.22 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 121.179 -0.95 . . . . 25.0 111.056 -179.77 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -68.65 -31.25 70.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.409 -0.36 . . . . 25.0 111.424 -177.182 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -56.53 -38.79 72.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.462 . . . . 25.0 110.526 -179.149 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -97.19 -21.83 17.07 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.825 0.676 . . . . 25.0 112.825 -178.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -87.56 -47.1 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -176.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -84.99 -17.75 36.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.376 -0.53 . . . . 25.0 110.921 -176.673 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.437 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 27.6 p -146.0 176.99 9.29 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 -178.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mm -89.21 131.19 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 -175.89 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -114.44 151.74 32.7 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.138 -1.801 . . . . 25.0 106.138 173.886 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -85.81 169.08 13.69 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -177.836 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.44 -28.12 69.58 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 120.738 0.304 . . . . 25.0 110.974 178.336 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -68.51 -37.21 79.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.466 0.65 . . . . 25.0 110.193 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -69.18 -33.61 73.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.284 176.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.53 -34.2 77.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.273 -0.422 . . . . 25.0 111.554 176.823 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -56.76 -30.37 63.53 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.86 -0.525 . . . . 25.0 112.1 178.204 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.32 -26.96 68.15 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -179.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -68.02 -23.78 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.145 -0.347 . . . . 25.0 110.576 -178.49 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m -84.89 52.97 2.56 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.561 0.696 . . . . 25.0 110.339 179.414 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.215 -0.756 0 CA-C-O 124.718 2.199 . . . . 25.0 111.956 -178.512 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 62.9 t -109.14 130.83 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 107.874 -1.158 . . . . 25.0 107.874 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -72.8 129.22 37.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.621 0.724 . . . . 25.0 110.432 178.47 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -160.3 145.82 15.05 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 104.197 -2.52 . . . . 25.0 104.197 174.447 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 75.9 m-70 -64.57 141.68 58.69 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 172.847 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.11 108.21 14.42 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 123.208 0.603 . . . . 25.0 111.388 -176.262 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 m -127.83 149.37 50.31 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.323 -0.991 . . . . 25.0 108.323 177.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.04 -136.08 48.62 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.725 -0.75 . . . . 25.0 113.158 177.768 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -26.46 65.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.822 1.045 . . . . 25.0 113.822 179.7 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -32.61 73.73 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.504 -0.747 . . . . 25.0 110.327 178.144 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.41 -40.71 73.7 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 120.844 0.354 . . . . 25.0 110.205 178.109 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.07 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.108 0.48 . . . . 25.0 110.303 178.71 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -69.51 -27.27 65.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.768 -0.582 . . . . 25.0 112.273 -178.873 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.76 -42.05 74.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 175.878 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.27 -33.44 75.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.266 -0.425 . . . . 25.0 111.913 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -55.12 -43.98 74.57 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 120.897 0.38 . . . . 25.0 110.151 175.13 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -71.92 -42.83 66.23 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -179.041 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -71.63 -43.91 70.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 25.0 111.653 -173.435 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.68 -15.99 33.46 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.739 -0.784 . . . . 25.0 111.233 179.791 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.24 -150.3 50.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.532 -0.842 . . . . 25.0 113.376 174.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -67.82 -6.39 21.15 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -178.4 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -70.18 -20.8 63.1 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.017 -0.427 . . . . 25.0 110.441 178.176 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.59 171.85 48.5 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.32 -0.712 . . . . 25.0 111.32 -178.363 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -166.37 177.74 6.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.977 -2.231 . . . . 25.0 104.977 -177.567 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -137.51 164.03 29.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 171.464 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -143.59 142.63 31.15 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 177.391 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.6 p -108.81 97.99 27.03 Favored Pre-proline 0 C--O 1.243 0.727 0 CA-C-O 121.038 0.447 . . . . 25.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -69.42 167.01 25.22 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 117.991 -0.873 . . . . 25.0 111.123 177.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 98.03 5.81 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -178.739 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.205 -1.248 0 CA-C-O 123.616 1.674 . . . . 25.0 113.392 -177.918 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.98 0 CA-C-O 119.01 -0.883 . . . . 25.0 111.13 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -59.27 -34.92 55.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-N 118.543 1.171 . . . . 25.0 112.871 -174.753 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 p -60.3 -28.36 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -179.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -66.48 -34.2 77.4 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 121.396 -0.815 . . . . 25.0 111.49 -176.365 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -58.84 -32.0 69.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.378 0.423 . . . . 25.0 111.88 -176.12 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 64.6 m -99.94 -26.24 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 178.013 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.7 t -75.0 -48.37 24.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.321 0.489 . . . . 25.0 112.321 -177.055 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -88.09 -18.95 27.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 -175.063 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.401 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 21.8 p -144.29 174.12 11.18 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.25 -0.281 . . . . 25.0 111.038 -175.842 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.1 mm -80.8 135.73 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 106.471 -1.678 . . . . 25.0 106.471 -174.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 p -129.98 156.53 44.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.022 -1.473 . . . . 25.0 107.022 175.534 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -110.72 173.8 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.953 -0.388 . . . . 25.0 109.953 -175.515 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.38 -28.65 67.08 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.109 0.411 . . . . 25.0 112.109 179.382 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -68.95 -36.73 78.28 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 121.478 0.656 . . . . 25.0 110.085 179.441 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -74.76 -33.8 62.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.291 177.164 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.48 -32.06 73.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.53 . . . . 25.0 111.365 177.28 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.61 -24.34 55.88 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 177.055 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -68.13 -26.98 66.06 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.552 0.575 . . . . 25.0 112.552 178.664 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.48 -26.0 59.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.611 -0.885 . . . . 25.0 108.611 179.454 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.68 128.71 36.67 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -179.315 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.209 -1.028 0 CA-C-O 122.757 1.265 . . . . 25.0 112.566 -175.85 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 118.995 -0.526 . . . . 25.0 109.641 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.7 p -138.16 137.78 43.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 106.181 -1.785 . . . . 25.0 106.181 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -75.83 127.41 32.95 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.24 0.543 . . . . 25.0 110.717 -178.001 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -160.27 153.06 21.27 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 173.264 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.401 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 65.7 m-70 -66.89 139.83 57.75 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 105.59 -2.004 . . . . 25.0 105.59 169.765 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -120.33 110.97 17.18 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.403 -0.962 . . . . 25.0 108.403 -176.553 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -146.6 161.94 39.47 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 -178.067 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.31 -142.84 48.28 Favored Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 110.016 -1.234 . . . . 25.0 110.016 -177.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.28 -31.73 69.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -60.9 -34.25 74.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.903 -0.498 . . . . 25.0 111.736 -179.049 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 tp -69.35 -48.53 61.05 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.32 -0.552 . . . . 25.0 110.834 -179.384 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.1 -32.82 57.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 120.22 -0.592 . . . . 25.0 110.262 -177.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -65.2 -40.32 94.04 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.986 -0.446 . . . . 25.0 110.479 177.292 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.34 84.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.733 0.301 . . . . 25.0 110.231 179.443 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -65.39 -31.29 72.31 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 -178.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -61.04 -37.98 84.5 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.381 -0.527 . . . . 25.0 110.185 176.03 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.88 -43.15 65.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.404 0.52 . . . . 25.0 112.404 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.1 t -74.6 -42.17 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.002 0.429 . . . . 25.0 111.051 -174.04 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 90.5 m -75.15 -28.42 60.12 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.523 -0.471 . . . . 25.0 109.929 177.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.94 -143.54 48.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.336 -0.935 . . . . 25.0 111.419 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.81 -6.41 26.66 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.169 1.174 . . . . 25.0 114.169 -179.077 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -68.72 -27.77 66.24 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.119 0.418 . . . . 25.0 110.991 178.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.52 171.74 36.85 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.631 -0.988 . . . . 25.0 110.631 -176.062 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -169.8 176.08 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 -178.344 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -132.22 159.82 37.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.177 -2.157 . . . . 25.0 105.177 170.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -137.67 139.96 40.54 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -178.074 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.02 99.79 52.93 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-O 121.796 0.808 . . . . 25.0 110.502 -177.416 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.83 159.53 24.53 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 121.145 1.23 . . . . 25.0 110.594 177.666 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -86.48 85.04 7.3 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 176.616 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.212 -0.884 0 CA-C-O 125.077 2.37 . . . . 25.0 111.307 179.511 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.902 0 CA-C-O 118.839 -0.978 . . . . 25.0 111.685 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 tt -64.56 -38.27 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 118.804 1.302 . . . . 25.0 113.284 -174.471 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.07 -38.68 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.446 0.641 . . . . 25.0 109.548 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -63.54 -43.44 97.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 25.0 110.379 178.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -60.61 -43.04 97.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.851 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.3 m -73.94 -26.76 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.99 -0.55 . . . . 25.0 112.465 179.62 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.08 -49.3 29.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 25.0 111.044 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 t -87.08 -25.27 24.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -174.17 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -132.43 -178.21 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.75 -0.593 . . . . 25.0 110.538 -178.346 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mm -73.41 120.64 22.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.756 0.789 . . . . 25.0 109.535 -170.232 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.13 85.29 6.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.197 -0.911 . . . . 25.0 109.02 -179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 m -63.54 159.34 18.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.124 179.608 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.0 -27.99 62.06 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.98 0.733 . . . . 25.0 112.98 -179.766 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -67.57 -36.55 81.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.279 0.562 . . . . 25.0 111.12 178.887 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -68.63 -40.22 80.4 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 177.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.32 -36.96 85.44 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.506 -0.77 . . . . 25.0 112.436 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -58.33 -25.05 61.48 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -179.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -66.8 -26.89 67.16 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.992 -0.443 . . . . 25.0 112.155 178.858 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -79.44 -8.16 58.92 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.511 0.325 . . . . 25.0 111.605 -178.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.0 m -72.55 147.66 45.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 122.339 1.066 . . . . 25.0 111.52 -173.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.3 t30 . . . . . 0 C--O 1.214 -0.775 0 CA-C-O 124.832 2.253 . . . . 25.0 111.206 178.043 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.2 t80 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 119.033 -0.508 . . . . 25.0 109.756 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -109.58 122.57 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -179.846 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -75.34 128.3 35.09 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.036 0.446 . . . . 25.0 111.313 -177.705 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -160.19 153.36 21.84 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 104.876 -2.268 . . . . 25.0 104.876 173.368 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -68.43 142.76 55.29 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.574 -1.639 . . . . 25.0 106.574 170.511 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.6 mt -129.2 110.77 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 -176.649 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -133.44 -39.89 0.9 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.608 1.336 . . . . 25.0 114.608 -175.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.65 -143.39 9.22 Favored Glycine 0 N--CA 1.457 0.044 0 N-CA-C 110.783 -0.927 . . . . 25.0 110.783 178.589 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -54.95 -26.66 37.89 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.89 0.476 . . . . 25.0 112.188 177.264 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -52.83 -37.43 60.06 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.897 0.702 . . . . 25.0 112.897 176.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.9 tp -67.12 -43.8 81.51 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.918 0.389 . . . . 25.0 110.181 -177.066 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.43 -40.95 83.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.189 0.518 . . . . 25.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -63.68 -34.23 77.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 25.0 110.992 -179.324 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.01 -32.43 65.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.981 0.419 . . . . 25.0 110.499 -179.43 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.39 -30.27 70.61 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.357 0.503 . . . . 25.0 112.357 -178.369 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -60.72 -37.73 82.7 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.678 -0.409 . . . . 25.0 109.98 175.677 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.4 mt -71.84 -47.14 55.17 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -179.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.0 t -76.15 -41.32 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.998 -0.547 . . . . 25.0 111.197 -171.471 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -86.06 -10.9 54.14 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.074 -0.251 . . . . 25.0 111.561 -179.444 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.1 -137.53 23.38 Favored Glycine 0 CA--C 1.519 0.321 0 CA-C-O 122.395 0.997 . . . . 25.0 114.54 176.436 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -72.93 -6.27 44.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.589 1.329 . . . . 25.0 114.589 -178.369 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.6 -18.79 50.84 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.801 -0.562 . . . . 25.0 110.509 -177.326 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.64 172.74 48.58 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.899 -0.88 . . . . 25.0 110.899 -178.687 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -156.76 174.02 16.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -177.208 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -131.08 160.94 33.18 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.435 -1.691 . . . . 25.0 106.435 176.385 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -148.54 141.1 24.39 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 179.342 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 48.2 p -101.05 103.3 24.47 Favored Pre-proline 0 C--O 1.244 0.785 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 179.112 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.78 166.62 28.91 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.978 -0.882 . . . . 25.0 112.673 -178.199 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -84.7 94.84 8.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.269 -1.382 . . . . 25.0 107.269 177.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.204 -1.294 0 CA-C-O 123.989 1.852 . . . . 25.0 113.105 -178.398 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.048 -0.821 . . . . 25.0 111.048 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -56.82 -35.71 47.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 113.962 1.097 . . . . 25.0 113.962 -171.096 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.02 -35.82 73.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 121.667 -0.646 . . . . 25.0 110.779 178.824 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mp0 -70.73 -43.2 69.4 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.405 -0.809 . . . . 25.0 108.998 176.366 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -58.4 -38.35 77.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.35 -0.386 . . . . 25.0 111.287 -179.414 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.0 m -80.66 -33.52 35.55 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 177.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.7 t -73.81 -54.39 8.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.864 0.32 . . . . 25.0 111.864 -176.156 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -88.02 -18.72 28.36 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -174.154 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -137.93 -176.53 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -177.859 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.7 mm -72.34 122.78 25.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.756 0.789 . . . . 25.0 112.225 -166.22 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 t -92.8 96.77 10.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.68 -1.23 . . . . 25.0 107.68 176.625 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.5 p -75.68 167.06 22.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.46 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -60.92 -27.86 68.51 Favored 'General case' 0 C--O 1.215 -0.715 0 O-C-N 122.111 -0.368 . . . . 25.0 111.011 178.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -68.98 -37.7 78.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.494 0.664 . . . . 25.0 110.926 178.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -67.52 -38.83 84.83 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 176.593 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.51 -36.96 85.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.203 -0.31 . . . . 25.0 111.589 177.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.78 -26.22 67.96 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.499 0.555 . . . . 25.0 112.499 176.899 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.98 -26.78 63.3 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.091 0.404 . . . . 25.0 112.091 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -79.97 -12.37 59.72 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.143 0.497 . . . . 25.0 110.738 177.776 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.38 147.82 49.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.441 0.639 . . . . 25.0 110.641 -171.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.5 t30 . . . . . 0 C--O 1.206 -1.195 0 CA-C-O 124.313 2.006 . . . . 25.0 113.017 -178.849 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 119.015 -0.517 . . . . 25.0 109.794 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.0 p -133.36 143.58 38.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 -179.441 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.04 140.39 52.82 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.273 0.558 . . . . 25.0 111.342 -177.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -160.19 150.78 18.66 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 106.371 -1.715 . . . . 25.0 106.371 172.681 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -70.12 142.25 52.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.46 -2.052 . . . . 25.0 105.46 166.911 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -136.38 118.76 15.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.205 0.526 . . . . 25.0 111.306 -176.594 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.39 158.98 43.2 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 -178.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.59 -144.7 47.76 Favored Glycine 0 C--O 1.229 -0.187 0 C-N-CA 120.831 -0.7 . . . . 25.0 112.532 179.25 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -27.62 66.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 179.5 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.68 -36.9 84.4 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.924 -0.485 . . . . 25.0 110.475 178.543 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.72 -44.03 82.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 179.248 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.36 -42.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.166 -0.47 . . . . 25.0 111.272 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.99 -32.66 74.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.821 -0.55 . . . . 25.0 111.578 179.718 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.02 -33.82 68.34 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -65.56 -32.08 73.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.942 0.349 . . . . 25.0 111.942 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -62.1 -35.18 77.94 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.652 -0.419 . . . . 25.0 110.531 176.248 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.82 -42.95 66.38 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 179.25 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -75.3 -40.86 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.244 0.545 . . . . 25.0 111.069 -173.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.7 m -83.27 -22.18 33.09 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.8 -0.36 . . . . 25.0 110.972 178.868 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.1 -150.5 50.38 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 109.81 -1.316 . . . . 25.0 109.81 -176.468 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.75 -6.46 15.95 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.442 1.275 . . . . 25.0 114.442 179.395 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -72.25 -22.03 61.29 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 122.122 -0.361 . . . . 25.0 111.637 -178.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.24 176.08 48.11 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-O 121.898 0.721 . . . . 25.0 114.363 178.332 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -161.13 179.78 8.12 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.873 -2.269 . . . . 25.0 104.873 -177.107 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -127.44 158.72 36.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 177.002 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -146.8 142.01 27.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.19 97.87 44.99 Favored Pre-proline 0 C--O 1.244 0.78 0 CA-C-O 121.778 0.799 . . . . 25.0 109.519 -177.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.65 156.53 24.59 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 121.154 1.236 . . . . 25.0 111.649 -179.213 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -96.06 100.25 11.93 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 178.21 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 C--O 1.211 -0.939 0 CA-C-O 125.218 2.437 . . . . 25.0 112.121 179.933 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.303 0 N-CA-C 111.256 -0.738 . . . . 25.0 111.256 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 tt -58.75 -37.33 65.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -171.24 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.23 -38.58 79.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 O-C-N 121.662 -0.649 . . . . 25.0 110.459 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mp0 -65.64 -43.94 87.91 Favored 'General case' 0 C--O 1.216 -0.673 0 O-C-N 121.416 -0.802 . . . . 25.0 108.848 177.644 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.79 -37.14 78.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.774 -178.338 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.5 m -83.03 -28.74 29.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 179.456 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.0 m -77.78 -48.19 17.18 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 179.554 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -87.96 -18.08 29.87 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -176.204 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.437 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.7 t -137.12 -169.34 2.47 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 107.253 -1.388 . . . . 25.0 107.253 178.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -110.45 118.5 57.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 119.004 0.82 . . . . 25.0 109.936 -175.619 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.3 m -82.02 131.83 35.25 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.979 -0.748 . . . . 25.0 108.979 175.282 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.5 p -75.39 168.25 20.36 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.41 -1.329 . . . . 25.0 107.41 175.322 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.11 -32.32 67.99 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 111.856 0.317 . . . . 25.0 111.856 -179.704 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -66.82 -38.74 87.05 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 121.355 0.598 . . . . 25.0 111.368 179.806 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -69.02 -39.37 79.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 177.459 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.47 -33.95 76.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.033 -0.53 . . . . 25.0 112.129 179.502 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.65 -22.01 31.48 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.598 0.962 . . . . 25.0 113.598 178.012 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -65.49 -27.02 68.18 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.734 -0.603 . . . . 25.0 112.417 177.641 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -76.96 -11.44 59.81 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.285 0.564 . . . . 25.0 110.371 177.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.75 101.67 14.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.196 0.522 . . . . 25.0 110.382 -173.632 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 126.526 3.06 . . . . 25.0 111.917 -178.052 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.2 t80 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.17 132.51 58.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 105.562 -2.014 . . . . 25.0 105.562 178.569 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.08 127.0 31.79 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 120.063 -0.655 . . . . 25.0 110.912 -176.556 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -160.18 150.44 18.4 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 102.963 -2.976 . . . . 25.0 102.963 173.644 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.0 m-70 -68.33 138.99 55.87 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 177.517 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.07 105.33 11.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.304 0.573 . . . . 25.0 111.444 -172.846 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.3 153.41 43.87 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 178.194 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.76 -134.58 51.17 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.487 -0.863 . . . . 25.0 111.738 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.4 p -60.59 -30.22 69.69 Favored 'General case' 0 C--O 1.22 -0.462 0 N-CA-C 112.74 0.644 . . . . 25.0 112.74 179.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -65.35 -32.24 73.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.702 -0.624 . . . . 25.0 111.798 179.586 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -68.61 -42.05 78.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 177.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.67 -42.46 96.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.075 -0.511 . . . . 25.0 110.444 178.478 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.27 -35.24 79.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.113 0.482 . . . . 25.0 111.051 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.37 -39.38 65.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.938 0.399 . . . . 25.0 110.059 179.493 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.08 -30.79 71.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -178.902 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -57.84 -39.73 78.39 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 120.89 -0.324 . . . . 25.0 110.848 175.075 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.8 mt -71.98 -41.74 67.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.3 t -74.14 -41.91 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.127 0.489 . . . . 25.0 111.243 -174.05 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.4 m -82.32 -22.11 35.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.535 -0.302 . . . . 25.0 111.198 179.412 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.09 -141.36 47.27 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.133 -1.032 . . . . 25.0 110.994 -178.46 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.2 -11.99 61.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 115.509 1.67 . . . . 25.0 115.509 -177.324 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -74.58 -16.29 60.81 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.955 0.798 . . . . 25.0 113.137 -175.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.17 173.81 46.49 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 121.165 -0.54 . . . . 25.0 113.0 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -167.15 -179.37 4.55 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.986 -1.857 . . . . 25.0 105.986 -177.833 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -137.12 164.35 28.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 174.771 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -145.57 143.6 30.0 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 176.704 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.4 p -98.35 107.09 39.86 Favored Pre-proline 0 C--O 1.243 0.743 0 CA-C-O 120.51 0.195 . . . . 25.0 110.968 179.567 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.34 157.75 58.29 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 117.368 -1.288 . . . . 25.0 110.423 176.358 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -135.9 100.79 4.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.384 -0.599 . . . . 25.0 109.384 -175.7 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.205 -1.279 0 CA-C-O 123.618 1.675 . . . . 25.0 113.541 -178.473 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.05 0 CA-C-O 118.631 -1.094 . . . . 25.0 111.456 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -61.56 -41.13 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 118.94 1.37 . . . . 25.0 114.442 -173.815 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 p -67.11 -37.46 79.3 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 O-C-N 121.51 -0.744 . . . . 25.0 110.134 179.183 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -65.49 -45.32 84.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.097 0.475 . . . . 25.0 109.818 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -63.25 -40.65 98.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.635 -0.711 . . . . 25.0 110.698 -178.427 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 m -71.54 -31.83 67.48 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.743 0.275 . . . . 25.0 111.743 179.1 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 t -70.49 -49.96 43.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.9 0.381 . . . . 25.0 110.824 -178.867 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -87.97 -25.2 23.28 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 114.192 1.182 . . . . 25.0 114.192 -174.264 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.9 p -133.57 -177.22 4.44 Favored 'General case' 0 C--O 1.221 -0.395 0 O-C-N 121.623 -0.673 . . . . 25.0 110.174 -177.351 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.9 mm -71.62 117.54 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.874 0.845 . . . . 25.0 111.01 -167.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.8 t -88.43 96.06 10.45 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 178.429 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.3 p -73.21 167.28 21.5 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.292 -0.632 . . . . 25.0 109.292 -178.322 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.24 -29.79 69.0 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 122.224 -0.298 . . . . 25.0 110.914 178.769 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -67.91 -37.72 82.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.406 0.622 . . . . 25.0 110.933 179.402 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -66.3 -40.07 89.75 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 177.414 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.8 -37.04 85.21 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.847 0.314 . . . . 25.0 111.847 178.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.95 -31.12 70.68 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 122.014 -0.429 . . . . 25.0 111.864 177.088 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.15 -26.96 67.67 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 -179.642 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -71.12 -23.05 62.02 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.049 -0.407 . . . . 25.0 110.299 179.035 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 96.1 m -85.37 140.01 31.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.812 0.815 . . . . 25.0 109.835 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.213 -0.848 0 CA-C-O 125.08 2.371 . . . . 25.0 111.512 175.179 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 45.1 t80 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.809 -0.615 . . . . 25.0 109.631 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -136.67 143.69 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 -179.245 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -62.95 128.73 37.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.238 0.458 . . . . 25.0 112.238 -179.121 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -159.87 149.1 17.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 107.397 -1.335 . . . . 25.0 107.397 175.005 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -71.61 142.99 49.96 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 106.198 -1.778 . . . . 25.0 106.198 168.522 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -136.16 117.5 14.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.052 0.453 . . . . 25.0 111.008 -176.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -142.88 158.63 43.43 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 -178.233 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.12 -139.61 48.27 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.797 -0.716 . . . . 25.0 112.56 178.433 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.1 p -60.24 -29.81 69.01 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 179.568 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -63.86 -34.38 77.82 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 121.793 -0.567 . . . . 25.0 111.101 179.641 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.8 tp -66.57 -43.68 84.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 179.417 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.98 -42.26 91.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.711 -179.478 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -65.66 -30.53 71.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.842 -0.536 . . . . 25.0 111.359 179.495 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -33.25 65.45 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 122.064 -0.397 . . . . 25.0 110.023 178.415 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -66.33 -31.91 72.98 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.007 -0.277 . . . . 25.0 111.163 178.619 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -60.79 -36.84 80.01 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 120.887 -0.325 . . . . 25.0 110.266 174.672 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.81 -44.33 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.712 0.634 . . . . 25.0 112.712 179.897 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 73.3 t -79.31 -40.2 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.972 -172.216 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -17.27 43.38 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 177.227 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.31 -157.66 51.47 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 119.965 -1.112 . . . . 25.0 111.653 179.397 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.47 -6.46 25.11 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.416 1.636 . . . . 25.0 115.416 -177.146 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -72.13 -15.33 61.98 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.213 0.915 . . . . 25.0 111.419 -179.373 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.8 176.37 50.16 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 111.111 -0.796 . . . . 25.0 111.111 -178.497 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -163.03 179.29 7.64 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 104.312 -2.477 . . . . 25.0 104.312 -178.239 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -131.67 162.28 30.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 176.201 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -146.29 137.34 24.4 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 106.894 -1.521 . . . . 25.0 106.894 176.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.04 102.03 34.79 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-O 121.624 0.726 . . . . 25.0 109.446 -177.071 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -78.47 156.41 28.62 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 121.057 1.171 . . . . 25.0 112.539 -176.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.48 151.8 28.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 175.667 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.206 -1.202 0 CA-C-O 123.813 1.768 . . . . 25.0 113.015 -179.077 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.432 0 CA-C-O 118.866 -0.963 . . . . 25.0 111.594 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.6 tt -61.0 -31.17 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.107 0.953 . . . . 25.0 113.122 -176.056 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.82 -27.05 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.906 -0.496 . . . . 25.0 111.723 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -63.03 -33.11 74.73 Favored 'General case' 0 C--O 1.221 -0.428 0 O-C-N 122.006 -0.434 . . . . 25.0 111.229 -176.269 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -59.6 -33.45 71.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.275 -0.42 . . . . 25.0 111.403 -178.845 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -94.24 -23.43 17.87 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.478 -0.489 . . . . 25.0 111.656 179.348 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.84 -48.25 15.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -177.87 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -87.28 -22.82 24.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.837 0.351 . . . . 25.0 111.605 -173.612 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.492 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 78.4 p -143.86 -173.19 3.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.886 -0.783 . . . . 25.0 108.886 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.0 mm -91.92 118.01 36.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.757 -0.589 . . . . 25.0 112.397 -169.839 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.8 113.14 20.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.639 -1.615 . . . . 25.0 106.639 167.197 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.7 p -73.91 169.45 17.41 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.029 -1.471 . . . . 25.0 107.029 176.591 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.99 -28.14 66.06 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 111.947 0.351 . . . . 25.0 111.947 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -68.85 -41.29 78.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.897 -0.502 . . . . 25.0 110.467 179.48 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -66.55 -40.97 89.32 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 175.807 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.18 -37.03 85.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.124 0.416 . . . . 25.0 112.124 -179.528 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -62.81 -31.56 72.57 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.445 -0.784 . . . . 25.0 111.758 175.008 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -26.74 68.8 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 178.066 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -70.99 -20.7 62.39 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.737 -0.602 . . . . 25.0 111.304 176.554 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 p -113.74 43.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 122.727 1.251 . . . . 25.0 110.435 177.379 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--O 1.216 -0.676 0 CA-C-O 124.693 2.187 . . . . 25.0 111.318 175.11 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 27.8 t80 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.908 -0.567 . . . . 25.0 109.782 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -136.9 143.59 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 -178.508 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -66.25 136.04 55.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.265 0.555 . . . . 25.0 110.569 -178.362 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -160.18 143.86 14.03 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.337 -1.727 . . . . 25.0 106.337 172.785 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.0 m-70 -70.48 146.42 50.28 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.306 -1.738 . . . . 25.0 106.306 167.91 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.5 mt -135.14 122.66 21.99 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 -173.53 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -133.72 158.1 44.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 177.161 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.98 -133.43 41.08 Favored Glycine 0 C--O 1.231 -0.04 0 C-N-CA 121.2 -0.524 . . . . 25.0 113.903 174.062 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.0 p -58.43 -31.98 68.25 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 113.021 0.749 . . . . 25.0 113.021 -179.392 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -64.58 -36.23 83.56 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 118.325 0.511 . . . . 25.0 111.425 -179.673 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.0 tp -67.0 -40.97 87.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.268 0.556 . . . . 25.0 109.64 -179.886 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.9 -42.69 89.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.609 -0.723 . . . . 25.0 110.319 178.699 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -62.94 -36.63 84.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.431 . . . . 25.0 110.653 179.018 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.52 -38.13 77.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.275 -0.42 . . . . 25.0 110.333 -179.277 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.59 -32.59 74.11 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 -178.449 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -59.28 -41.69 89.53 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.183 0.447 . . . . 25.0 110.302 175.921 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -71.98 -41.57 67.51 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -177.866 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -78.89 -41.53 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.092 0.472 . . . . 25.0 111.776 -173.408 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.44 -17.3 49.3 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 179.084 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.87 -153.51 52.96 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-O 121.826 0.681 . . . . 25.0 113.029 175.898 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.68 -11.59 27.09 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 -178.711 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -65.71 -24.45 66.99 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 122.192 -0.317 . . . . 25.0 110.562 177.279 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.29 -172.6 55.23 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.008 -1.637 . . . . 25.0 109.008 -175.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -161.7 178.68 8.78 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 -178.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -140.68 168.82 18.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 104.066 -2.568 . . . . 25.0 104.066 178.266 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -147.26 130.5 16.51 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.797 -1.557 . . . . 25.0 106.797 175.795 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.03 87.45 48.57 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-O 122.522 1.153 . . . . 25.0 111.49 -175.266 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -80.39 151.01 19.93 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 N-CA-C 110.696 -0.54 . . . . 25.0 110.696 178.065 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -154.34 142.37 20.25 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 177.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.207 -1.183 0 CA-C-O 123.887 1.803 . . . . 25.0 112.917 -174.931 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.036 0 CA-C-O 118.468 -1.184 . . . . 25.0 111.323 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -62.58 -38.72 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 119.215 1.508 . . . . 25.0 112.717 -176.146 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.7 p -59.76 -28.92 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-O 121.358 0.599 . . . . 25.0 111.809 178.549 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -63.89 -35.52 80.92 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.127 -0.358 . . . . 25.0 111.212 -179.343 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -62.71 -40.91 98.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 25.0 110.774 -179.543 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.1 m -82.46 -12.41 57.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.324 0.491 . . . . 25.0 112.324 -177.548 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 m -82.68 -45.04 14.97 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 174.227 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 t -82.89 -24.79 33.0 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 -177.345 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.474 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.2 t -136.94 177.37 7.92 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 121.811 -0.556 . . . . 25.0 110.355 179.158 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.8 mm -70.15 -43.41 78.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 115.519 1.674 . . . . 25.0 115.519 -162.091 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.1 m 56.04 82.19 0.11 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.944 0.878 . . . . 25.0 111.259 -171.086 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -66.33 168.57 8.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.664 -1.235 . . . . 25.0 107.664 174.546 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.17 -28.77 42.58 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -177.851 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -68.74 -37.9 79.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.975 0.417 . . . . 25.0 111.011 179.234 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -73.28 -35.93 66.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.423 0.63 . . . . 25.0 109.764 176.561 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.06 -32.12 73.42 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.777 -0.647 . . . . 25.0 111.688 178.899 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.13 -13.91 14.38 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 176.218 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -65.06 -27.41 68.76 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.853 -0.53 . . . . 25.0 110.921 174.39 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -82.81 -5.33 58.9 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.294 0.637 . . . . 25.0 111.952 -179.789 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.28 141.84 47.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.91 0.862 . . . . 25.0 112.098 -171.509 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 t30 . . . . . 0 C--O 1.207 -1.15 0 CA-C-O 124.529 2.109 . . . . 25.0 112.66 178.793 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 118.765 -0.636 . . . . 25.0 109.673 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p -138.33 143.65 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -74.54 126.26 30.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.261 0.553 . . . . 25.0 111.926 179.617 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -158.98 150.04 20.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 103.826 -2.657 . . . . 25.0 103.826 170.188 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.474 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 74.6 m-70 -69.69 146.5 51.53 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 171.285 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 mt -132.36 120.88 22.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -171.897 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.2 m -129.36 157.04 43.03 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.497 -0.32 . . . . 25.0 110.271 176.938 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.31 -133.87 45.72 Favored Glycine 0 C--O 1.226 -0.348 0 C-N-CA 120.927 -0.654 . . . . 25.0 113.799 172.908 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.2 p -60.41 -29.87 69.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 -179.351 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -62.8 -41.12 99.15 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.688 -0.633 . . . . 25.0 109.461 177.418 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 tp -68.86 -43.29 75.71 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.858 -0.423 . . . . 25.0 109.858 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.93 -45.93 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.587 0.232 . . . . 25.0 111.361 179.605 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.25 -28.57 65.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.42 -0.8 . . . . 25.0 111.659 -179.222 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.92 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 176.19 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -65.46 -33.96 77.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.28 0.474 . . . . 25.0 112.28 -179.634 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -57.47 -40.33 78.33 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 120.797 0.332 . . . . 25.0 110.221 175.461 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.7 mt -71.84 -43.77 64.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -179.437 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.34 -43.37 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.109 0.481 . . . . 25.0 110.573 -174.257 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.6 m -84.56 -24.51 29.23 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -178.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.86 -138.05 48.97 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.085 -1.206 . . . . 25.0 110.085 -176.426 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -68.35 -6.84 26.56 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.979 1.474 . . . . 25.0 114.979 -179.337 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -70.26 -24.63 63.09 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.657 -0.652 . . . . 25.0 112.277 -178.6 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.89 167.14 36.94 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 110.794 -0.923 . . . . 25.0 110.794 -176.284 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -158.6 174.83 14.46 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 -176.791 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -126.4 161.77 27.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.719 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -140.72 145.34 36.32 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 -178.338 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.9 p -107.18 95.5 13.24 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-O 120.535 0.207 . . . . 25.0 110.809 -178.669 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.27 155.0 41.64 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 118.066 -0.823 . . . . 25.0 113.251 -179.207 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -92.24 85.08 5.32 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.033 0.92 . . . . 25.0 109.617 176.974 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.207 -1.138 0 CA-C-O 123.559 1.647 . . . . 25.0 113.014 -179.162 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.784 0 CA-C-O 118.723 -1.043 . . . . 25.0 111.398 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.14 -33.28 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 118.915 1.357 . . . . 25.0 113.275 -171.841 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.03 -41.45 87.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 O-C-N 121.748 -0.595 . . . . 25.0 109.673 177.272 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.98 -39.9 96.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.984 -0.553 . . . . 25.0 109.746 178.547 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.44 -39.41 93.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.546 -0.297 . . . . 25.0 111.08 179.372 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 66.2 m -80.22 -13.26 59.37 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.155 0.428 . . . . 25.0 112.155 178.265 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.04 -45.28 14.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.925 0.393 . . . . 25.0 110.057 175.229 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 t -84.74 -22.29 29.72 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.184 0.516 . . . . 25.0 111.941 -177.393 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.475 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 65.2 m -136.81 176.36 8.78 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 121.531 -0.73 . . . . 25.0 109.684 179.265 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.4 mm -71.83 -45.56 64.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 115.564 1.69 . . . . 25.0 115.564 -163.624 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.3 m 60.99 98.65 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 122.012 0.91 . . . . 25.0 111.374 -169.374 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.7 p -67.18 167.08 12.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 176.655 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.13 -33.73 65.43 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 122.156 -0.34 . . . . 25.0 111.81 -179.359 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.87 -37.68 86.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.454 0.645 . . . . 25.0 111.829 179.04 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -68.51 -38.78 81.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.961 -0.755 . . . . 25.0 108.961 177.262 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.76 -32.13 73.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.784 -0.643 . . . . 25.0 112.647 179.506 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -55.64 -28.94 58.18 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.402 0.547 . . . . 25.0 112.35 177.675 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -59.53 -27.91 66.6 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.889 0.7 . . . . 25.0 112.889 178.787 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -64.25 -23.08 67.18 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 122.356 -0.215 . . . . 25.0 110.706 178.744 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.8 p -128.36 35.7 4.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 177.283 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 N--CA 1.481 1.089 0 C-N-CA 125.364 1.466 . . . . 25.0 113.802 -175.939 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 118.971 -0.537 . . . . 25.0 109.818 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -109.4 129.78 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 108.982 -0.747 . . . . 25.0 108.982 -177.356 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -67.65 124.92 24.6 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.299 0.571 . . . . 25.0 111.383 178.385 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -160.3 149.49 17.38 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 104.083 -2.562 . . . . 25.0 104.083 173.515 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.6 m-70 -70.51 146.73 50.03 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 170.493 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 mt -128.33 113.3 15.43 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 -170.523 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 77.5 m -129.6 157.59 41.66 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 175.705 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.56 -135.16 45.73 Favored Glycine 0 C--O 1.229 -0.164 0 C-N-CA 121.209 -0.519 . . . . 25.0 113.927 174.12 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -30.48 68.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -179.249 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.5 -37.15 86.19 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.717 -0.614 . . . . 25.0 110.33 179.047 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.78 -45.4 78.58 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 121.22 -0.192 . . . . 25.0 111.494 -178.245 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.46 -29.02 26.28 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 C-N-CA 119.792 -0.763 . . . . 25.0 111.426 -178.839 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.04 -32.74 71.02 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.561 -0.712 . . . . 25.0 110.383 175.275 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.79 89.72 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 174.603 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.62 -33.69 76.18 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.669 0.618 . . . . 25.0 112.669 179.81 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -58.82 -43.68 90.69 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 175.377 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.94 -42.46 66.62 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -179.799 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -70.9 -47.73 60.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.781 0.289 . . . . 25.0 111.781 -174.567 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -14.33 50.83 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.051 -0.659 . . . . 25.0 109.828 -178.155 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.02 -148.01 49.95 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-O 122.246 0.914 . . . . 25.0 115.038 173.442 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -64.25 -16.2 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.712 1.004 . . . . 25.0 113.712 -176.078 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -22.55 64.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.363 0.265 . . . . 25.0 110.807 178.797 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.77 -176.11 54.79 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.218 -1.553 . . . . 25.0 109.218 -175.882 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -158.8 174.62 14.73 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.566 -2.013 . . . . 25.0 105.566 -178.645 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -126.23 158.74 34.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 175.541 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -148.43 145.33 27.95 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.709 -1.96 . . . . 25.0 105.709 -179.992 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.35 84.92 24.26 Favored Pre-proline 0 C--O 1.24 0.586 0 CA-C-O 121.742 0.782 . . . . 25.0 109.186 -177.902 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -77.09 159.95 33.51 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 119.817 0.345 . . . . 25.0 111.249 179.671 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -118.98 109.44 15.96 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 175.082 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 C--O 1.208 -1.112 0 CA-C-O 122.87 1.319 . . . . 25.0 111.507 -177.243 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.885 0 CA-C-O 119.071 -0.849 . . . . 25.0 111.181 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 19' ' ' TYR . 11.5 tt -82.84 -27.44 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -173.165 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.6 t -60.68 -43.15 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 121.399 -0.813 . . . . 25.0 112.551 -175.436 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -62.04 -28.59 69.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.297 0.48 . . . . 25.0 112.297 -176.27 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.7 -25.97 68.17 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.582 0.215 . . . . 25.0 111.582 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -97.06 -12.9 22.63 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.967 0.413 . . . . 25.0 111.175 176.52 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -92.23 -49.7 6.04 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -175.885 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -73.9 -19.32 60.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 25.0 112.01 -174.047 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.458 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 62.1 p -149.71 -178.08 6.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 -179.455 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.9 mm -86.13 133.82 28.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 -176.095 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -116.98 145.38 43.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.464 -1.68 . . . . 25.0 106.464 173.067 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.4 p -94.09 171.5 8.81 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.443 -0.577 . . . . 25.0 109.443 -177.271 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -60.96 -28.07 68.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.813 0.339 . . . . 25.0 111.474 178.255 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -67.9 -40.72 83.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.068 0.461 . . . . 25.0 109.876 -179.871 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -70.21 -39.55 75.07 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.572 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -60.17 -35.3 75.04 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 -179.41 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.08 -28.13 62.34 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 119.031 0.832 . . . . 25.0 112.705 178.47 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -65.43 -26.9 68.17 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.115 0.413 . . . . 25.0 112.115 178.092 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.405 ' CZ ' HG12 ' A' ' 2' ' ' ILE . 12.4 m-85 -73.53 -12.73 60.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.485 -0.325 . . . . 25.0 111.728 -176.367 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.1 p -132.54 168.59 17.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 122.169 0.985 . . . . 25.0 112.368 -173.815 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--O 1.21 -1.012 0 CA-C-O 124.196 1.95 . . . . 25.0 113.557 178.356 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.4 t80 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 118.808 -0.615 . . . . 25.0 109.761 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.57 134.2 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -177.821 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.92 124.65 24.29 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.23 0.538 . . . . 25.0 111.513 178.094 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -160.17 147.06 16.03 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 105.801 -1.926 . . . . 25.0 105.801 173.841 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 71.9 m-70 -67.97 143.74 55.48 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.124 -1.065 . . . . 25.0 108.124 170.856 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 37.0 mt -128.78 105.61 8.36 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.282 0.233 . . . . 25.0 110.47 -175.117 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 68.8 m -117.33 -6.25 11.27 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.183 1.92 . . . . 25.0 116.183 -173.313 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.26 -126.0 1.11 Allowed Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.775 -0.726 . . . . 25.0 112.194 -176.188 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -28.83 63.14 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.218 0.509 . . . . 25.0 111.567 177.931 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -57.23 -36.93 71.51 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 112.282 0.475 . . . . 25.0 112.282 175.667 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.56 -39.91 80.84 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 -178.264 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.11 -43.28 97.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.106 0.479 . . . . 25.0 109.93 177.68 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.01 -32.73 74.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.047 0.451 . . . . 25.0 110.935 179.326 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.91 -40.44 65.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.857 -0.424 . . . . 25.0 109.857 178.864 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.0 -34.54 78.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.457 -0.338 . . . . 25.0 111.347 -179.256 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -55.12 -45.15 75.53 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 121.04 0.448 . . . . 25.0 109.953 175.004 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.98 -43.77 64.59 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.517 0.932 . . . . 25.0 113.517 -178.739 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.19 -44.46 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.92 0.39 . . . . 25.0 111.937 -172.376 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -18.79 37.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.925 -0.768 . . . . 25.0 108.925 179.524 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.46 -143.8 46.12 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-O 122.392 0.996 . . . . 25.0 113.907 174.078 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 -10.18 50.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.766 1.395 . . . . 25.0 114.766 -176.833 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -76.76 -8.2 56.85 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.885 0.766 . . . . 25.0 111.131 -179.836 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.79 170.71 44.76 Favored Glycine 0 C--O 1.226 -0.381 0 N-CA-C 110.324 -1.11 . . . . 25.0 110.324 -179.686 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -158.52 171.38 20.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.485 -0.931 . . . . 25.0 108.485 -177.725 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -133.15 165.96 23.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 105.512 -2.033 . . . . 25.0 105.512 174.577 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -145.71 138.36 25.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 179.616 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.21 113.53 63.33 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 178.141 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -83.04 160.08 15.64 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 121.208 1.272 . . . . 25.0 112.853 -176.465 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -84.52 91.38 7.85 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 177.81 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 C--O 1.207 -1.155 0 CA-C-O 123.206 1.479 . . . . 25.0 111.573 -179.606 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.912 0 CA-C-O 118.965 -0.908 . . . . 25.0 111.651 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.5 tt -63.61 -43.37 98.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 118.742 1.271 . . . . 25.0 113.412 -175.826 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -66.14 -33.01 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 O-C-N 121.698 -0.626 . . . . 25.0 110.169 179.057 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -65.0 -40.49 95.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.366 -0.379 . . . . 25.0 109.992 178.827 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -60.63 -43.37 97.6 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.682 -0.235 . . . . 25.0 110.799 -178.634 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.0 m -75.12 -27.39 59.8 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.008 0.744 . . . . 25.0 113.008 179.386 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -83.36 -51.84 7.06 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -177.22 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -81.94 -19.43 40.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 25.0 111.174 -173.999 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.454 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.0 t -145.72 -175.32 4.69 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.976 -0.453 . . . . 25.0 110.054 179.573 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -87.55 133.46 30.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 -173.729 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.6 p -120.61 137.95 54.16 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 171.993 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.8 p -86.76 175.71 8.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 -175.039 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.38 -32.09 70.97 Favored 'General case' 0 C--O 1.215 -0.728 0 C-N-CA 121.131 -0.228 . . . . 25.0 111.019 177.492 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -67.68 -38.32 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.321 0.581 . . . . 25.0 110.548 179.321 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -67.11 -39.27 86.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 177.282 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.03 -33.41 75.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.802 -0.635 . . . . 25.0 112.601 179.554 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.23 -22.41 52.03 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.849 0.685 . . . . 25.0 112.849 177.499 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -63.6 -26.87 68.88 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.422 0.527 . . . . 25.0 112.422 177.799 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -70.53 -29.57 66.08 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.243 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 m -89.37 49.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.151 0.977 . . . . 25.0 108.814 179.496 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.212 -0.91 0 CA-C-O 125.02 2.343 . . . . 25.0 113.62 -173.169 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.1 t80 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -138.28 143.75 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 106.222 -1.77 . . . . 25.0 106.222 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -69.96 133.59 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.708 0.766 . . . . 25.0 111.374 -178.86 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -160.36 155.37 24.52 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 103.555 -2.758 . . . . 25.0 103.555 172.056 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 72.0 m-70 -69.2 145.31 53.32 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.297 -1.372 . . . . 25.0 107.297 170.11 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.88 113.91 20.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.73 0.3 . . . . 25.0 111.218 -178.298 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 91.8 m -132.45 156.53 46.56 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.153 -0.684 . . . . 25.0 109.153 175.304 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.72 -129.68 41.76 Favored Glycine 0 CA--C 1.516 0.106 0 C-N-CA 121.067 -0.587 . . . . 25.0 114.095 174.121 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.3 p -59.99 -36.03 76.3 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.309 0.485 . . . . 25.0 112.309 179.844 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -62.12 -35.09 77.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.962 -0.461 . . . . 25.0 110.98 -179.876 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 43.0 tp -68.86 -47.66 65.38 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.81 -0.356 . . . . 25.0 111.48 -179.378 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.54 -31.99 51.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 120.131 -0.628 . . . . 25.0 110.065 -178.155 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.36 -38.48 87.7 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.85 -0.531 . . . . 25.0 110.852 176.667 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.41 90.95 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.925 -0.31 . . . . 25.0 110.29 179.265 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.28 -34.65 78.15 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 -179.236 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -63.34 -38.56 91.64 Favored 'General case' 0 C--O 1.219 -0.524 0 C-N-CA 120.696 -0.402 . . . . 25.0 110.227 177.141 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -71.92 -43.99 64.38 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.932 0.716 . . . . 25.0 112.932 178.856 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.3 t -70.67 -45.57 73.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.146 0.498 . . . . 25.0 111.533 -173.785 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 70.8 m -94.62 -7.4 41.03 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.362 -176.62 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.15 -162.61 54.15 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-O 122.301 0.945 . . . . 25.0 114.377 172.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -68.01 -6.31 21.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.843 -0.678 . . . . 25.0 112.751 -178.815 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -68.58 -22.18 64.47 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.677 0.275 . . . . 25.0 110.318 177.569 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.14 -176.96 51.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.975 -0.631 . . . . 25.0 111.996 179.915 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -167.4 -178.98 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.491 -2.411 . . . . 25.0 104.491 -177.057 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -129.58 161.88 29.51 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.373 -1.343 . . . . 25.0 107.373 173.628 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -144.36 141.32 29.63 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 179.398 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.9 p -117.57 93.58 43.71 Favored Pre-proline 0 C--O 1.241 0.605 0 CA-C-O 121.229 0.538 . . . . 25.0 110.569 -178.613 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -71.4 169.72 20.14 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 118.049 -0.834 . . . . 25.0 111.776 179.592 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -131.33 97.34 4.23 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.583 -1.265 . . . . 25.0 107.583 178.584 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.21 -0.98 0 CA-C-O 124.604 2.145 . . . . 25.0 111.684 -176.81 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 CA-C-O 119.475 -0.625 . . . . 25.0 111.587 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt -61.8 -38.08 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.942 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.02 -34.95 73.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 121.695 -0.628 . . . . 25.0 110.41 -179.156 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mp0 -69.49 -40.6 76.94 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.667 -0.646 . . . . 25.0 109.742 176.677 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -56.87 -44.43 82.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.31 0.381 . . . . 25.0 110.273 -178.347 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.5 m -79.38 -30.06 42.35 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.309 -0.556 . . . . 25.0 111.813 -177.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 t -70.65 -50.59 35.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.739 0.304 . . . . 25.0 110.84 -179.274 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 t -88.06 -19.22 27.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -175.204 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.459 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 53.3 p -140.34 -171.17 3.14 Favored 'General case' 0 C--O 1.223 -0.318 0 O-C-N 121.649 -0.657 . . . . 25.0 110.853 -178.822 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.3 mm -97.67 108.38 21.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 121.839 -0.538 . . . . 25.0 110.377 -171.607 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 m -79.8 130.21 35.13 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 175.242 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.6 p -79.85 169.2 18.25 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 175.386 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.41 -30.46 68.47 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 111.788 0.292 . . . . 25.0 111.788 -179.856 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -67.61 -37.29 82.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.444 0.64 . . . . 25.0 111.075 -179.669 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -69.46 -38.41 77.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 177.299 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.37 -33.88 76.88 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 179.092 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.8 -21.0 25.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 178.591 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -66.65 -26.93 67.29 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.746 -0.597 . . . . 25.0 112.368 177.104 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -81.2 -6.05 58.42 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.936 0.398 . . . . 25.0 111.813 178.781 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.76 157.54 37.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.778 0.799 . . . . 25.0 112.578 -170.727 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.7 t30 . . . . . 0 C--O 1.214 -0.808 0 CA-C-O 124.693 2.187 . . . . 25.0 111.568 178.934 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.951 -0.547 . . . . 25.0 109.533 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 81.7 t -131.02 133.08 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 -179.465 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -67.56 125.93 27.74 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.467 0.651 . . . . 25.0 110.141 177.804 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -160.31 143.77 13.78 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 105.955 -1.868 . . . . 25.0 105.955 176.262 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.459 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 67.6 m-70 -69.45 144.95 53.13 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 170.856 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.5 mt -129.46 105.42 8.09 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.942 -0.392 . . . . 25.0 109.942 -173.738 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.1 -57.51 1.31 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -176.049 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.15 -138.32 4.91 Favored Glycine 0 C--O 1.227 -0.32 0 N-CA-C 111.761 -0.536 . . . . 25.0 111.761 178.529 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -25.13 13.94 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 179.183 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -56.91 -36.49 70.22 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 175.693 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 tp -65.31 -42.23 93.25 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.65 -0.5 . . . . 25.0 109.65 -179.177 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.53 -43.17 96.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.231 178.58 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.13 -35.64 80.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.1 0.476 . . . . 25.0 111.023 -179.613 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.98 -38.96 69.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.356 -0.384 . . . . 25.0 110.166 179.915 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 mt -66.43 -28.12 68.36 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -177.927 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -60.71 -36.37 78.64 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.662 -0.415 . . . . 25.0 110.632 174.753 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.03 -43.42 65.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.107 0.479 . . . . 25.0 111.785 178.898 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -71.92 -42.33 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.896 -0.593 . . . . 25.0 110.999 -173.497 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.2 m -90.49 -13.03 35.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.738 0.644 . . . . 25.0 112.738 -178.58 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.1 -136.26 34.59 Favored Glycine 0 CA--C 1.52 0.362 0 CA-C-O 122.402 1.001 . . . . 25.0 113.128 179.185 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -72.46 -10.52 59.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.152 1.168 . . . . 25.0 114.152 -178.542 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.89 -19.32 54.95 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.955 -0.466 . . . . 25.0 111.059 -176.851 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.84 173.93 44.12 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 121.943 0.746 . . . . 25.0 113.674 178.611 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -159.96 176.97 11.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.079 -2.193 . . . . 25.0 105.079 -177.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -133.67 165.77 24.15 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 179.179 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -140.57 131.25 25.67 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.817 -1.549 . . . . 25.0 106.817 175.36 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 45.2 p -88.81 111.46 44.54 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 116.645 -0.252 . . . . 25.0 110.506 -179.5 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.35 173.49 13.68 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 117.729 -1.048 . . . . 25.0 110.979 176.909 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 147.38 27.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.21 -1.774 . . . . 25.0 106.21 179.032 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 38.3 p . . . . . 0 C--O 1.206 -1.203 0 CA-C-O 122.823 1.297 . . . . 25.0 111.235 -177.26 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.984 0 CA-C-O 118.559 -1.134 . . . . 25.0 111.234 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.0 tt -61.81 -41.49 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 119.447 1.624 . . . . 25.0 113.133 -171.077 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t -73.63 -40.69 54.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.735 0.779 . . . . 25.0 109.344 178.3 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -58.21 -40.52 81.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.142 -0.935 . . . . 25.0 111.387 -178.427 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -39.58 89.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.757 -0.201 . . . . 25.0 111.37 179.808 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -27.01 54.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.319 0.58 . . . . 25.0 111.498 179.409 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 96.2 m -70.65 -42.48 70.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.35 -0.386 . . . . 25.0 110.655 176.702 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 t -87.94 -23.49 23.87 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.952 1.093 . . . . 25.0 113.952 -176.226 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 48.8 m -137.01 158.68 43.91 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 121.26 -0.9 . . . . 25.0 111.357 -178.136 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp -78.48 118.94 26.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 122.008 -0.433 . . . . 25.0 110.16 -173.848 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.9 m -83.23 128.06 34.17 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 171.132 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.6 p -76.32 169.3 18.48 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.487 -2.042 . . . . 25.0 105.487 173.213 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.11 -30.48 68.14 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 122.062 -0.399 . . . . 25.0 111.302 179.381 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -68.89 -38.99 80.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.089 0.471 . . . . 25.0 111.156 179.395 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.94 -37.3 75.84 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.149 -0.686 . . . . 25.0 109.149 177.872 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.73 -31.98 73.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.736 -0.665 . . . . 25.0 112.335 177.43 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.36 -24.07 58.76 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 177.526 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -63.16 -28.42 70.04 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.593 -0.692 . . . . 25.0 111.607 176.221 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -89.07 -3.65 58.6 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.193 0.597 . . . . 25.0 110.387 -178.869 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 125.95 46.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.643 1.211 . . . . 25.0 113.089 -164.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 . . . . . 0 C--O 1.214 -0.802 0 CA-C-O 122.864 1.316 . . . . 25.0 110.02 179.018 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.9 t80 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.999 -0.524 . . . . 25.0 109.693 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -138.5 143.68 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 -179.313 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -64.48 126.62 28.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.583 0.706 . . . . 25.0 112.286 -178.995 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -160.17 148.74 17.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 104.578 -2.378 . . . . 25.0 104.578 172.526 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.7 m-70 -70.95 146.22 49.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 172.69 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 108.33 14.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.25 0.548 . . . . 25.0 111.967 -174.59 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -141.09 154.46 45.94 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 178.118 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.73 -143.69 48.71 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.499 -0.858 . . . . 25.0 111.392 -179.613 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -27.84 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.194 0.813 . . . . 25.0 113.194 179.436 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -61.16 -32.0 71.73 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.868 -0.52 . . . . 25.0 111.211 179.203 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.19 -47.98 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.002 -0.279 . . . . 25.0 111.409 -179.743 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 m -71.43 -30.7 40.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 C-N-CA 120.012 -0.675 . . . . 25.0 110.685 -178.168 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.54 -40.2 95.16 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.94 -0.475 . . . . 25.0 110.243 176.662 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.02 85.98 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 178.126 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -66.06 -30.59 71.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.023 0.749 . . . . 25.0 113.023 -178.626 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -61.42 -36.45 80.37 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.847 -0.341 . . . . 25.0 110.188 174.903 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.84 -40.9 68.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 178.939 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -74.59 -42.51 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.01 0.433 . . . . 25.0 111.534 -174.238 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -15.41 37.52 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.177 -0.609 . . . . 25.0 111.388 -179.657 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.74 -152.25 52.49 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.295 -0.955 . . . . 25.0 111.226 -178.549 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -66.59 -7.34 19.56 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.945 1.091 . . . . 25.0 113.945 -178.289 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -66.03 -26.26 67.44 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.022 0.749 . . . . 25.0 113.022 -179.412 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.06 -179.97 51.88 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 108.176 -1.97 . . . . 25.0 108.176 -172.903 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -161.77 -175.83 4.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.7 -1.592 . . . . 25.0 106.7 -175.974 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -126.7 168.71 14.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.147 0.499 . . . . 25.0 109.948 -178.749 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -140.24 146.38 38.57 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 178.26 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.42 99.94 52.1 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 -178.915 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.16 174.78 9.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.127 1.885 . . . . 25.0 111.693 179.846 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -82.38 84.88 7.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 176.876 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 34.5 p . . . . . 0 C--O 1.211 -0.951 0 CA-C-O 124.7 2.19 . . . . 25.0 112.13 -178.901 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 CA-C-O 119.344 -0.698 . . . . 25.0 111.559 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.8 tt -63.68 -30.48 49.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 117.773 0.787 . . . . 25.0 112.18 -175.818 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.87 -42.39 94.72 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 O-C-N 121.712 -0.617 . . . . 25.0 109.959 179.119 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -64.82 -41.44 95.77 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 178.488 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -56.87 -40.04 75.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.472 -179.178 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 54.7 m -90.74 -10.44 42.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -178.782 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.4 t -91.97 -44.11 9.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.568 0.223 . . . . 25.0 110.856 178.502 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -87.81 -21.64 24.95 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.92 -0.488 . . . . 25.0 110.756 -179.534 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.462 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 50.8 m -130.75 -178.72 4.92 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 175.833 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -77.51 -50.72 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 115.722 1.749 . . . . 25.0 115.722 -164.457 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.8 m 63.09 111.99 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 122.181 0.991 . . . . 25.0 112.191 -167.817 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.1 p -71.69 165.38 24.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.432 -1.321 . . . . 25.0 107.432 175.402 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 pp -56.65 -27.98 59.65 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -179.082 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -68.55 -37.46 79.95 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.21 0.529 . . . . 25.0 111.096 179.165 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -70.97 -34.16 71.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.417 0.627 . . . . 25.0 109.501 177.206 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.92 -32.18 72.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.184 178.391 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.35 -28.04 40.21 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.38 0.536 . . . . 25.0 112.221 178.244 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -59.34 -27.02 65.54 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.564 0.949 . . . . 25.0 113.564 178.681 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -72.49 -14.01 61.56 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 122.112 -0.368 . . . . 25.0 111.909 -179.373 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.5 m -82.64 151.87 26.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 -178.41 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t30 . . . . . 0 C--O 1.213 -0.825 0 CA-C-O 124.553 2.121 . . . . 25.0 112.139 -178.745 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 29.3 t80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.808 -0.615 . . . . 25.0 109.647 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t -125.79 133.23 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -178.807 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -71.13 128.78 37.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.296 0.569 . . . . 25.0 111.49 178.665 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -159.52 149.27 18.55 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 104.018 -2.586 . . . . 25.0 104.018 172.657 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.462 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 73.7 m-70 -70.42 144.87 51.38 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 170.882 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.9 mt -125.38 105.35 9.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.226 0.536 . . . . 25.0 112.403 -173.033 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 m -122.73 151.52 41.49 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 179.111 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.71 -133.65 47.35 Favored Glycine 0 C--O 1.228 -0.268 0 C-N-CA 120.939 -0.648 . . . . 25.0 113.275 176.019 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.24 -29.24 67.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 114.158 1.17 . . . . 25.0 114.158 -179.121 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -36.41 83.11 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.75 -0.594 . . . . 25.0 110.563 179.502 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 27.6 tp -66.04 -42.7 89.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.631 -0.507 . . . . 25.0 109.631 179.286 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.15 -43.08 97.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.066 0.46 . . . . 25.0 110.59 178.771 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.65 -34.93 78.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.891 0.377 . . . . 25.0 110.882 -179.679 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.83 -38.3 73.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.948 -0.389 . . . . 25.0 109.948 -178.917 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.84 -27.98 69.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 -176.675 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -60.47 -42.47 96.3 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.895 -0.409 . . . . 25.0 109.895 174.313 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 73.2 mt -71.88 -39.23 69.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.968 0.413 . . . . 25.0 111.783 179.104 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.96 -48.11 85.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 25.0 111.338 -174.647 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.33 -12.01 26.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.091 -0.644 . . . . 25.0 112.71 -177.049 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.65 -145.58 49.93 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.323 -0.941 . . . . 25.0 111.968 178.656 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -66.25 -9.58 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.881 1.067 . . . . 25.0 113.881 -178.038 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -69.06 -25.46 64.47 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 122.114 -0.366 . . . . 25.0 110.95 178.155 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.88 179.34 51.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.891 -0.671 . . . . 25.0 112.111 -177.901 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -162.98 179.41 7.58 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 104.505 -2.405 . . . . 25.0 104.505 -177.511 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -133.9 160.36 37.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 174.419 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -152.23 148.42 27.55 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 179.335 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.89 90.78 44.4 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-O 122.134 0.968 . . . . 25.0 109.104 -179.886 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.14 152.12 24.0 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 120.35 0.7 . . . . 25.0 112.059 -178.975 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.79 85.0 7.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.895 0.855 . . . . 25.0 109.718 178.282 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.207 -1.171 0 CA-C-O 123.641 1.686 . . . . 25.0 113.185 -178.876 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 CA-C-O 118.339 -1.256 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 tt -128.65 -36.34 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 118.269 1.034 . . . . 25.0 113.458 178.855 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.07 -44.94 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.396 -0.815 . . . . 25.0 111.211 -177.098 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -59.92 -41.02 90.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 179.774 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -64.12 -39.26 93.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.903 -0.59 . . . . 25.0 111.647 -177.141 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 68.3 m -83.44 -12.23 56.63 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.95 0.352 . . . . 25.0 111.95 178.757 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -87.66 -47.58 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.861 0.362 . . . . 25.0 110.589 177.148 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 t -79.93 -22.51 42.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.05 -0.406 . . . . 25.0 111.051 -178.536 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.48 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 8.6 t -135.05 -173.3 3.28 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 178.876 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.3 mm -84.61 -35.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 113.684 0.994 . . . . 25.0 113.684 -166.171 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 m 61.56 -164.94 0.23 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.048 -1.093 . . . . 25.0 108.048 -169.731 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.9 p -155.22 170.61 21.46 Favored 'General case' 0 CA--C 1.509 -0.596 0 N-CA-C 105.287 -2.116 . . . . 25.0 105.287 179.464 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pp -59.34 -33.44 71.15 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 118.088 0.403 . . . . 25.0 111.248 -179.712 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -66.6 -37.66 85.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.471 0.653 . . . . 25.0 111.48 179.958 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.41 -38.14 77.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 177.356 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.89 -32.14 73.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.632 -0.713 . . . . 25.0 112.664 178.985 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -55.36 -27.84 49.97 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.694 0.628 . . . . 25.0 112.694 177.817 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -61.19 -28.26 69.01 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.891 0.7 . . . . 25.0 112.891 179.114 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -68.56 -19.75 64.5 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 122.23 -0.294 . . . . 25.0 110.636 -179.938 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.5 p -131.61 41.84 3.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.288 1.042 . . . . 25.0 108.998 178.348 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.7 t30 . . . . . 0 C--O 1.214 -0.782 0 CA-C-O 124.718 2.199 . . . . 25.0 111.979 179.427 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.918 -0.563 . . . . 25.0 109.605 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -138.51 142.79 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 178.444 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -66.48 128.26 35.51 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.751 0.31 . . . . 25.0 111.592 -176.495 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -160.12 146.79 15.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.448 -2.056 . . . . 25.0 105.448 175.947 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 71.8 m-70 -71.81 145.12 48.87 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 172.189 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 49.2 mt -128.77 105.53 8.31 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.163 0.431 . . . . 25.0 112.163 -173.531 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.4 m -115.56 -62.97 1.52 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -179.016 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.96 -131.2 3.99 Favored Glycine 0 C--O 1.225 -0.41 0 CA-C-N 116.145 -0.48 . . . . 25.0 112.849 -177.591 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -25.63 30.12 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 179.189 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -56.69 -39.3 73.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.164 -0.335 . . . . 25.0 111.667 175.881 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.86 -40.79 88.0 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -179.113 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.54 -43.23 98.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.316 178.804 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -66.24 -31.37 72.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.985 -0.447 . . . . 25.0 111.513 179.445 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.39 72.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 177.891 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.49 -32.43 74.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.21 0.448 . . . . 25.0 112.21 -179.881 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -58.1 -39.35 78.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.876 0.37 . . . . 25.0 110.663 175.585 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.79 -44.35 64.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 179.499 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.55 -43.82 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.118 0.485 . . . . 25.0 111.716 -172.533 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.0 m -84.81 -12.8 52.86 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.943 -0.392 . . . . 25.0 109.943 -178.832 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 51.96 -137.96 31.36 Favored Glycine 0 C--O 1.228 -0.267 0 CA-C-O 122.542 1.079 . . . . 25.0 115.186 174.313 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -70.28 -11.9 61.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -176.806 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.09 -19.77 50.4 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.247 -0.283 . . . . 25.0 110.358 -176.705 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.75 176.89 50.96 Favored Glycine 0 C--O 1.229 -0.183 0 C-N-CA 120.97 -0.633 . . . . 25.0 111.973 -179.944 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -163.41 177.73 8.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 -177.555 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -135.82 165.94 24.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 174.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -148.68 152.29 36.4 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.534 -1.284 . . . . 25.0 107.534 178.538 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -117.94 84.88 21.96 Favored Pre-proline 0 C--O 1.244 0.794 0 CA-C-O 122.149 0.976 . . . . 25.0 109.518 179.018 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -76.44 164.6 30.49 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 120.522 0.815 . . . . 25.0 110.08 177.807 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -134.81 126.07 28.14 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 106.375 -1.713 . . . . 25.0 106.375 179.756 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 122.885 1.326 . . . . 25.0 110.346 -173.21 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.091 0 CA-C-O 119.287 -0.73 . . . . 25.0 111.417 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.9 tt -56.86 -41.16 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 -170.371 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.92 -34.85 72.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 O-C-N 121.83 -0.544 . . . . 25.0 111.14 179.365 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.66 -42.62 77.68 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 178.438 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -63.03 -28.31 70.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.757 -178.323 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.8 m -85.95 -29.44 23.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 173.711 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -51.06 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.265 1.209 . . . . 25.0 114.265 -175.071 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -88.01 -19.27 27.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.463 0.649 . . . . 25.0 110.367 -174.348 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.429 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 47.5 p -140.63 -177.23 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 -179.515 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 mm -92.76 129.94 42.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 -175.976 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.0 p -110.02 139.06 45.56 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.745 -1.946 . . . . 25.0 105.745 172.201 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.0 p -79.84 170.87 15.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.549 -0.537 . . . . 25.0 109.549 -176.022 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.79 -29.43 68.2 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 116.842 -0.163 . . . . 25.0 111.27 178.555 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -67.77 -36.82 81.17 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 121.344 0.592 . . . . 25.0 110.867 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -69.47 -38.98 77.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 177.002 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.1 -33.57 74.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.842 -0.617 . . . . 25.0 112.274 178.053 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -55.91 -24.51 38.03 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.486 0.921 . . . . 25.0 113.486 178.709 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -64.04 -27.04 68.84 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.687 0.625 . . . . 25.0 112.687 178.186 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -77.1 -12.86 60.0 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 179.229 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.26 154.06 41.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.705 1.24 . . . . 25.0 112.31 -172.378 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t30 . . . . . 0 C--O 1.216 -0.698 0 CA-C-O 123.788 1.756 . . . . 25.0 110.586 175.276 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.843 -0.598 . . . . 25.0 109.661 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.7 136.07 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 179.51 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -78.49 127.52 32.28 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.182 0.515 . . . . 25.0 111.206 -176.002 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -159.76 150.6 19.28 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 104.202 -2.518 . . . . 25.0 104.202 173.001 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 9' ' ' SER . 69.3 m-70 -72.01 145.96 47.99 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 170.734 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.54 113.77 19.75 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.721 0.408 . . . . 25.0 111.395 -177.039 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 99.7 m -132.48 152.5 51.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.449 -0.574 . . . . 25.0 109.449 175.409 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.63 -131.28 43.26 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.984 175.437 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.4 t -59.39 -32.49 70.19 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 112.684 0.624 . . . . 25.0 112.684 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.73 -33.99 76.27 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.326 -0.859 . . . . 25.0 111.225 179.347 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.2 tp -67.8 -42.95 80.8 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 109.354 -0.61 . . . . 25.0 109.354 178.01 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.32 -42.79 97.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.592 178.295 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.59 -36.4 83.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.884 0.373 . . . . 25.0 110.836 -179.484 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.03 -39.05 72.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.239 0.542 . . . . 25.0 109.806 -179.966 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.73 -29.39 69.36 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 -177.597 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -58.65 -40.07 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.119 174.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.89 -45.57 60.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 179.582 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -72.7 -43.53 61.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.131 0.491 . . . . 25.0 111.161 -173.225 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.7 m -85.1 -16.11 41.68 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.223 -0.298 . . . . 25.0 111.27 -178.417 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.89 -134.02 22.44 Favored Glycine 0 CA--C 1.521 0.441 0 CA-C-O 122.188 0.882 . . . . 25.0 114.182 177.802 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -69.6 -15.07 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 114.287 1.217 . . . . 25.0 114.287 -177.325 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.41 -23.14 60.11 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.916 0.389 . . . . 25.0 110.118 -178.039 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.99 174.92 47.69 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.598 -0.601 . . . . 25.0 111.598 -179.577 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -160.79 176.14 11.81 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 -177.827 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -137.04 163.17 31.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.539 -1.652 . . . . 25.0 106.539 178.119 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -147.01 143.73 28.63 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 177.747 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.81 105.06 51.83 Favored Pre-proline 0 C--O 1.247 0.934 0 N-CA-C 107.524 -1.288 . . . . 25.0 107.524 179.421 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -77.79 156.7 31.31 Favored 'Trans proline' 0 CA--C 1.519 -0.256 0 C-N-CA 121.841 1.694 . . . . 25.0 111.325 -176.893 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -140.1 100.16 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 -175.621 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.212 -0.917 0 CA-C-O 125.357 2.503 . . . . 25.0 112.035 -178.315 . . . . . . . . 1 1 . 1 stop_ save_