data_1wwn_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 1wwn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.317 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -134.3 143.73 47.9 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.781 1.633 . . . . 0.0 108.206 168.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 169.25 41.28 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 111.519 -0.633 . . . . 0.0 111.519 -167.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -85.83 114.52 22.83 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 122.601 0.36 . . . . 0.0 110.374 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.02 112.6 20.34 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.227 0.611 . . . . 0.0 111.613 -169.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.449 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 35.4 m -115.71 137.75 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.629 1.572 . . . . 0.0 108.343 172.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -74.32 -60.19 2.38 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.34 0.656 . . . . 0.0 111.613 -158.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -141.99 -12.35 0.85 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -163.87 52.22 0.15 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.479 1.036 . . . . 0.0 109.644 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.449 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 77.41 -0.97 67.22 Favored Glycine 0 CA--C 1.527 0.803 0 O-C-N 121.664 -0.647 . . . . 0.0 114.053 168.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -73.28 115.66 12.89 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 166.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -55.57 155.23 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.506 0 C-N-CA 123.241 0.616 . . . . 0.0 111.051 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.9 t -70.2 52.18 0.13 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.394 1.078 . . . . 0.0 110.743 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 46.71 -120.65 1.07 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.296 1.838 . . . . 0.0 111.241 173.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.33 1.3 p 111.96 66.54 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 129.503 3.121 . . . . 0.0 111.787 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.07 -34.09 71.56 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 120.751 -1.218 . . . . 0.0 109.279 163.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -152.82 153.21 32.65 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.394 0.678 . . . . 0.0 110.333 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -56.9 -48.71 77.56 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.181 0.992 . . . . 0.0 111.775 -171.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -54.01 -39.64 66.27 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 119.533 -0.27 . . . . 0.0 110.882 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -63.84 -52.59 59.42 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.319 0.648 . . . . 0.0 109.491 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -47.58 -54.41 11.85 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.302 0.572 . . . . 0.0 109.558 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -54.51 36.69 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.022 0.929 . . . . 0.0 110.215 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -53.15 -57.46 10.39 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.126 0.971 . . . . 0.0 112.117 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.3 mm -52.41 -45.14 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 124.962 1.305 . . . . 0.0 109.22 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -37.92 83.88 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -175.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.4 p -63.54 -39.45 94.45 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.268 170.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -67.28 -41.31 85.69 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.868 0.867 . . . . 0.0 112.313 -172.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.98 -36.53 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 C-N-CA 124.725 1.21 . . . . 0.0 111.63 -164.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -104.28 -24.64 13.09 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.092 1.357 . . . . 0.0 111.145 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.306 26.6 m-85 74.34 31.43 1.06 Allowed 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.279 1.832 . . . . 0.0 112.533 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.41 160.53 0.16 Allowed 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.044 0.938 . . . . 0.0 113.259 155.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -87.99 -39.82 14.38 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.854 0.862 . . . . 0.0 108.985 157.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 t -155.27 -160.8 1.09 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-N 119.265 0.939 . . . . 0.0 112.416 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.95 171.28 22.86 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 108.518 -1.833 . . . . 0.0 108.518 -166.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -178.13 174.45 1.35 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.691 0.796 . . . . 0.0 109.028 -173.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 92.5 m -69.41 92.62 0.61 Allowed 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 169.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.63 163.0 28.21 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 162.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -16.21 -54.74 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 129.12 2.968 . . . . 0.0 115.544 -170.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.14 24.6 1.79 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 m -161.83 162.1 29.26 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.022 -1.049 . . . . 0.0 111.048 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 109.79 1.01 Allowed 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 162.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.11 155.87 36.62 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 156.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -140.43 147.17 39.26 Favored 'General case' 0 N--CA 1.414 -2.273 0 O-C-N 124.563 1.164 . . . . 0.0 109.024 162.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -116.17 106.12 13.35 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 128.813 2.845 . . . . 0.0 105.059 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.27 -10.15 9.38 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.958 1.742 . . . . 0.0 114.705 168.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.49 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -28.86 108.07 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.546 1.938 . . . . 0.0 109.559 173.645 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.93 -59.25 2.28 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.57 1.948 . . . . 0.0 106.925 -170.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -71.32 157.72 37.6 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.988 157.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -143.42 97.23 3.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 123.739 1.733 . . . . 0.0 107.148 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -56.9 -51.59 68.49 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.358 -2.201 . . . . 0.0 109.249 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 168.45 56.05 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 128.421 2.689 . . . . 0.0 107.357 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.1 m -62.72 140.08 20.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.257 -168.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.62 167.7 20.2 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 123.309 1.528 . . . . 0.0 112.148 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -93.03 105.34 17.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 112.093 -2.321 . . . . 0.0 109.09 -172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.18 137.7 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 122.909 0.484 . . . . 0.0 109.934 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.48 151.07 42.73 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 174.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.45 -57.66 11.35 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.897 0.771 . . . . 0.0 109.214 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.58 30.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.272 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -40.81 63.96 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.897 0.772 . . . . 0.0 110.001 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -58.93 5.9 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 175.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.4 m -51.97 -54.73 26.23 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 125.557 1.543 . . . . 0.0 109.716 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -48.17 -49.38 32.85 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 124.102 0.961 . . . . 0.0 110.859 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.1 m -94.69 20.34 8.74 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.14 0.976 . . . . 0.0 113.113 -172.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.76 -69.28 0.76 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 119.878 1.217 . . . . 0.0 109.133 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.2 t -48.73 -37.47 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 126.355 1.862 . . . . 0.0 111.621 -168.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -24.63 -61.1 0.06 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 128.162 2.585 . . . . 0.0 112.631 166.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.8 mt -116.77 -43.47 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 125.803 1.641 . . . . 0.0 109.664 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.3 mt . . . . . 0 C--N 1.339 0.144 0 C-N-CA 125.028 1.331 . . . . 0.0 108.554 176.78 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -49.12 152.71 1.07 Allowed 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.777 -1.202 . . . . 0.0 110.046 158.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.14 -160.46 17.33 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 108.196 -1.962 . . . . 0.0 108.196 169.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -106.03 126.54 52.32 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 166.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.91 138.36 36.14 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.45 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 16.6 m -124.15 144.61 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 122.952 0.501 . . . . 0.0 111.067 -173.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -77.76 -117.58 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.568 2.347 . . . . 0.0 110.623 -166.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 t -72.39 63.5 0.56 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.281 1.432 . . . . 0.0 108.663 165.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m 85.47 68.1 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.971 1.308 . . . . 0.0 109.226 154.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.45 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 85.36 -4.8 85.07 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 114.386 -1.279 . . . . 0.0 113.574 172.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -68.12 145.49 54.34 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 163.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 m -143.77 155.71 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.843 1.257 . . . . 0.0 109.291 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.4 m -71.38 108.32 4.76 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 160.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.17 -65.2 0.72 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.999 0.919 . . . . 0.0 109.0 173.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.0 p 56.91 -179.51 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.726 2.41 . . . . 0.0 116.234 160.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.21 -46.53 1.11 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.798 1.639 . . . . 0.0 111.329 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.67 117.59 10.58 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.271 -0.893 . . . . 0.0 112.544 -170.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -61.56 -55.98 24.98 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.262 1.025 . . . . 0.0 111.221 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -53.87 -46.82 71.44 Favored 'General case' 0 N--CA 1.458 -0.056 0 C-N-CA 123.52 0.728 . . . . 0.0 110.944 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -50.04 -56.15 11.92 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.888 0.875 . . . . 0.0 110.475 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -42.77 98.51 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.358 -175.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -42.76 65.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.243 0.617 . . . . 0.0 110.904 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.42 -56.5 21.28 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 121.47 -0.768 . . . . 0.0 110.868 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 mm -59.31 -43.14 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.099 0.476 . . . . 0.0 109.965 -177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.2 m -46.07 -60.36 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.367 1.867 . . . . 0.0 110.403 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 t -72.72 -24.4 60.98 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.683 1.129 . . . . 0.0 113.551 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -79.74 -52.26 8.17 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 119.56 1.073 . . . . 0.0 112.27 -168.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 t -101.48 -51.77 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 126.243 1.817 . . . . 0.0 107.991 -171.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -80.29 -41.16 25.47 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.252 -167.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.326 28.5 m-85 83.62 51.1 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.181 2.192 . . . . 0.0 111.151 -176.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.37 -167.28 1.01 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.461 155.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -112.9 -57.18 2.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.021 1.329 . . . . 0.0 109.488 158.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.78 -162.73 0.83 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.515 1.126 . . . . 0.0 109.988 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.92 178.47 24.88 Favored Glycine 0 C--N 1.342 0.912 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -178.7 170.18 1.61 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.113 1.365 . . . . 0.0 108.721 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 60.3 m -75.84 86.14 2.81 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.2 t -62.87 164.57 7.86 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -7.99 -57.37 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 129.953 3.301 . . . . 0.0 115.204 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.52 39.83 0.57 Allowed 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 170.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -164.56 170.6 15.61 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 120.842 -1.161 . . . . 0.0 112.016 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.58 97.76 11.38 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.867 1.317 . . . . 0.0 112.115 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.42 152.2 44.47 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-N 112.726 -2.034 . . . . 0.0 109.323 164.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.64 ' HB3' ' CD2' ' A' ' 47' ' ' LEU 0.255 5.0 m -148.78 141.94 25.0 Favored 'General case' 0 N--CA 1.418 -2.052 0 O-C-N 125.649 1.843 . . . . 0.0 106.673 -176.394 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -103.51 143.74 32.33 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 119.358 0.981 . . . . 0.0 109.654 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.55 57.5 9.34 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 124.36 0.981 . . . . 0.0 111.879 174.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.64 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 4.2 mt -61.29 126.97 29.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 169.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -96.16 -71.22 0.68 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -62.66 152.81 34.27 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 156.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -139.84 94.61 2.79 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 124.213 1.959 . . . . 0.0 107.079 -169.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -71.84 62.29 0.42 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 112.685 -2.052 . . . . 0.0 108.538 167.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 42.07 70.83 0.25 Allowed 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.98 2.112 . . . . 0.0 111.9 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' HD11 ' A' ' 47' ' ' LEU . 15.3 m -52.62 145.61 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.922 0.868 . . . . 0.0 112.955 -170.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.61 166.96 6.2 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 123.542 1.639 . . . . 0.0 111.194 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 116.37 22.5 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 111.78 -2.464 . . . . 0.0 105.187 -175.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 pt -133.35 148.68 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 -153.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 144.01 25.58 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.56 -51.0 71.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 122.313 1.054 . . . . 0.0 109.853 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.67 50.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.359 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -40.93 66.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -60.96 2.58 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 174.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 t -47.41 -60.66 2.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.29 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -46.16 -44.68 16.11 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.288 1.435 . . . . 0.0 111.583 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.1 m -112.18 27.45 9.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 117.444 -1.265 . . . . 0.0 113.586 -169.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -127.91 -44.43 1.47 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.845 1.657 . . . . 0.0 110.101 173.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.11 -27.19 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 124.64 1.176 . . . . 0.0 112.669 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -43.42 -70.35 0.11 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 127.951 2.5 . . . . 0.0 113.766 -167.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.6 mt -93.38 -62.2 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.3 mt . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 124.844 1.258 . . . . 0.0 111.466 -174.543 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -67.32 143.11 56.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 158.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.05 -175.89 43.81 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -172.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -90.31 133.5 34.92 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 119.459 -0.305 . . . . 0.0 110.485 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.65 142.17 28.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.287 0.367 . . . . 0.0 110.285 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -135.31 152.52 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.592 0.757 . . . . 0.0 110.009 168.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.3 -63.64 0.9 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 126.243 1.817 . . . . 0.0 110.986 173.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 t -162.65 -47.01 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 128.251 2.62 . . . . 0.0 108.243 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 t -103.68 -42.48 5.63 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.025 1.33 . . . . 0.0 109.855 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.28 73.79 0.67 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 115.467 0.947 . . . . 0.0 115.467 167.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -72.7 77.71 1.11 Allowed 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 152.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 m -49.5 127.04 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 110.911 -173.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -81.51 53.88 2.21 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.727 0.811 . . . . 0.0 111.227 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -36.46 -84.84 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 128.058 2.543 . . . . 0.0 113.833 -167.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 162.5 0.26 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.052 1.741 . . . . 0.0 113.902 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -106.1 -41.79 5.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.008 1.323 . . . . 0.0 111.84 167.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.92 72.79 3.51 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.852 -1.155 . . . . 0.0 111.784 -176.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -6.77 -64.71 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 129.121 2.969 . . . . 0.0 116.837 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -49.21 -35.2 16.59 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.472 1.109 . . . . 0.0 112.779 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -45.85 -48.87 15.8 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 122.806 0.442 . . . . 0.0 111.384 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.37 -50.38 65.76 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.287 -0.864 . . . . 0.0 109.633 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -44.94 -51.14 10.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.325 1.05 . . . . 0.0 112.279 170.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -55.68 -57.63 11.16 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.626 0.77 . . . . 0.0 111.355 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.11 -37.6 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 123.511 0.724 . . . . 0.0 110.055 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 m -57.2 -51.13 70.57 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 125.553 1.541 . . . . 0.0 109.052 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -42.94 72.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 119.547 -0.861 . . . . 0.0 111.187 176.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -62.61 -52.75 62.13 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.433 -0.792 . . . . 0.0 111.855 -171.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.57 -44.74 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 C-N-CA 126.085 1.754 . . . . 0.0 110.32 -170.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -94.41 -8.63 38.12 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.01 0.924 . . . . 0.0 112.202 -171.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 59.33 33.73 22.59 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.836 0.855 . . . . 0.0 110.696 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.41 148.61 22.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.495 1.518 . . . . 0.0 108.678 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -75.06 -36.71 61.78 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.477 -0.765 . . . . 0.0 111.172 -171.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -145.34 -164.4 1.93 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.579 1.551 . . . . 0.0 107.834 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.25 173.91 23.01 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -174.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.92 169.88 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.688 1.195 . . . . 0.0 108.35 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.0 m -86.75 93.57 9.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -174.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.15 163.95 26.11 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.62 1.568 . . . . 0.0 109.828 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -5.58 -62.37 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 130.548 3.539 . . . . 0.0 114.75 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.29 44.89 0.55 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.801 0.841 . . . . 0.0 109.92 172.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.22 179.79 4.36 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 120.795 -1.191 . . . . 0.0 110.212 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.2 t -114.74 111.0 20.59 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 123.414 0.686 . . . . 0.0 112.209 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.23 144.63 31.45 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.114 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.517 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 1.5 m -134.74 141.31 46.45 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -103.89 137.75 41.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 119.543 1.065 . . . . 0.0 108.598 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.05 63.53 4.19 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.517 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -62.39 75.04 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 117.467 0.634 . . . . 0.0 109.765 169.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.29 -57.14 11.57 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.973 0.892 . . . . 0.0 110.413 -171.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.33 -52.09 6.01 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.952 2.101 . . . . 0.0 110.688 169.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 t0 69.65 88.66 0.11 Allowed 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 129.772 3.229 . . . . 0.0 109.167 -176.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -67.73 -54.66 17.52 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.828 -169.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 175.14 59.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.955 2.102 . . . . 0.0 105.395 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.76 137.29 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.369 -156.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.03 171.91 14.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 124.102 1.905 . . . . 0.0 114.302 -161.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -83.11 63.86 7.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 111.841 -2.436 . . . . 0.0 109.616 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pt -54.72 133.5 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.107 0.48 . . . . 0.0 110.718 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.3 147.5 48.04 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.27 -42.74 99.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 123.037 1.399 . . . . 0.0 110.988 -170.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.53 -41.63 77.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.705 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -42.42 68.83 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 118.815 0.734 . . . . 0.0 109.15 -178.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -49.95 -60.35 3.01 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.314 1.446 . . . . 0.0 108.613 173.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -53.07 -55.18 25.82 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.496 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -50.75 -42.81 57.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.921 0.889 . . . . 0.0 111.501 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.1 m -113.02 39.43 2.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.223 1.409 . . . . 0.0 111.862 -169.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -128.88 -55.6 1.2 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.892 1.223 . . . . 0.0 111.465 165.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.88 -29.0 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.663 1.185 . . . . 0.0 111.966 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -19.72 -66.76 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 129.677 3.191 . . . . 0.0 114.029 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mm -85.83 -17.84 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.447 0.699 . . . . 0.0 110.654 -171.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 177.574 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.436 ' CG ' ' H ' ' A' ' 3' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.549 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 22.2 p30 -127.9 158.56 37.47 Favored 'General case' 0 N--CA 1.428 -1.573 0 C-N-CA 127.621 2.369 . . . . 0.0 105.558 158.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.47 175.24 32.28 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 -167.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -79.61 106.6 11.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 124.283 0.637 . . . . 0.0 109.885 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.89 131.08 38.38 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.491 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 8.4 m -109.25 142.89 20.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 123.632 0.773 . . . . 0.0 109.717 -175.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -22.18 -109.5 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 131.097 3.759 . . . . 0.0 114.34 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -124.08 36.59 4.59 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.623 1.569 . . . . 0.0 107.042 153.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 t -154.22 -66.36 0.14 Allowed 'General case' 0 C--N 1.343 0.289 0 O-C-N 121.831 -0.543 . . . . 0.0 112.372 -175.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 157.4 -37.57 0.55 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 -161.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -24.27 127.88 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.658 1.183 . . . . 0.0 110.371 143.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.8 m -95.97 -176.78 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.205 1.002 . . . . 0.0 109.971 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 t -139.45 144.16 37.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 162.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -119.92 -175.49 2.98 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.097 1.759 . . . . 0.0 108.562 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.5 p 161.03 -178.16 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 127.951 2.5 . . . . 0.0 109.445 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.81 -41.42 8.46 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.851 1.26 . . . . 0.0 111.418 164.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.96 123.6 22.41 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.387 -0.82 . . . . 0.0 113.205 -169.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -54.59 -44.54 73.09 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.701 -0.624 . . . . 0.0 110.183 163.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -55.67 -44.24 77.09 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.745 1.218 . . . . 0.0 111.802 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -53.56 -53.32 53.38 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -52.09 62.68 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.107 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -42.33 -50.05 5.06 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 120.268 1.394 . . . . 0.0 111.946 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -56.64 -59.34 5.15 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 119.413 -0.327 . . . . 0.0 111.149 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mm -53.9 -56.61 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.14 0.976 . . . . 0.0 110.574 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.0 m -36.97 -56.88 0.85 Allowed 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 128.538 2.735 . . . . 0.0 111.339 173.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.11 -31.65 44.28 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.212 -175.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -65.05 -47.98 75.45 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.857 0.863 . . . . 0.0 110.584 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.2 t -106.32 -45.77 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 C-N-CA 124.73 1.212 . . . . 0.0 110.304 -167.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -100.88 -9.69 21.37 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.382 1.073 . . . . 0.0 111.93 -171.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.26 39.9 m-85 64.36 27.87 13.69 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.734 1.614 . . . . 0.0 113.439 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.69 143.22 32.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 122.749 0.419 . . . . 0.0 110.919 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -65.16 -43.39 91.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.566 0.698 . . . . 0.0 111.373 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 t -155.96 -164.55 1.73 Allowed 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.511 -0.743 . . . . 0.0 109.936 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.06 176.02 25.12 Favored Glycine 0 C--N 1.332 0.31 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 -154.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -170.53 164.72 8.47 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.3 m -75.14 91.09 2.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.6 t -67.84 165.05 18.32 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.449 1.499 . . . . 0.0 109.133 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -13.59 -57.93 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 129.071 2.948 . . . . 0.0 114.417 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.76 48.5 0.87 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.973 0.416 . . . . 0.0 111.669 170.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 t -168.74 -169.92 1.1 Allowed 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.179 -0.95 . . . . 0.0 109.952 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 t -117.06 107.03 14.03 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 124.558 1.143 . . . . 0.0 110.168 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.92 147.51 45.21 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.504 -1.226 . . . . 0.0 107.983 170.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -135.73 160.32 38.9 Favored 'General case' 0 N--CA 1.426 -1.641 0 C-N-CA 125.946 1.698 . . . . 0.0 108.018 172.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -127.15 23.52 6.47 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.65 1.98 . . . . 0.0 113.882 -172.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.28 49.84 0.2 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 169.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.584 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 2.8 mp -60.01 163.59 4.61 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 122.248 1.023 . . . . 0.0 109.761 -178.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 51.9 t0 -67.24 -160.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.435 -1.711 . . . . 0.0 106.89 163.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.457 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 3.7 t70 -66.56 -171.35 0.12 Allowed 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.742 -0.599 . . . . 0.0 110.738 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -83.45 72.04 10.27 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 124.412 2.053 . . . . 0.0 109.515 -172.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 55.4 0.17 Allowed 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 112.682 -2.054 . . . . 0.0 109.738 161.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.2 63.09 2.34 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.272 1.829 . . . . 0.0 111.826 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 m -62.9 137.3 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 167.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.17 169.4 3.52 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 123.224 1.488 . . . . 0.0 111.69 -173.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -100.22 112.89 25.23 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 112.718 -2.037 . . . . 0.0 106.15 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.1 pt -112.06 145.44 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 123.422 0.689 . . . . 0.0 109.591 -163.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 150.7 40.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -176.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -58.67 -61.72 2.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.969 0.89 . . . . 0.0 110.567 -170.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.73 -41.37 56.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.953 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.1 p -71.55 -31.31 66.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.081 -0.648 . . . . 0.0 112.312 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -65.85 0.57 Allowed 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 105.943 -1.873 . . . . 0.0 105.943 171.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -47.02 -49.16 21.58 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.655 0.782 . . . . 0.0 112.211 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -48.52 -49.75 34.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.415 1.086 . . . . 0.0 111.111 171.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.0 m -102.85 34.82 2.7 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.381 1.872 . . . . 0.0 112.622 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -118.37 -76.99 0.57 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.293 1.037 . . . . 0.0 109.227 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.48 -21.57 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 123.958 0.903 . . . . 0.0 111.458 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -19.98 -64.85 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 130.331 3.452 . . . . 0.0 114.86 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.34 -14.87 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.367 0.667 . . . . 0.0 111.688 -169.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.4 mt . . . . . 0 CA--C 1.532 0.257 0 O-C-N 121.055 -1.028 . . . . 0.0 108.478 -179.559 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.401 ' CB ' ' HA ' ' A' ' 45' ' ' PHE . 42.1 p-10 -73.01 147.21 45.34 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 153.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.88 -161.51 32.79 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 107.09 -2.404 . . . . 0.0 107.09 -159.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -102.57 139.17 38.51 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 117.217 0.509 . . . . 0.0 110.56 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.85 130.52 42.77 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.708 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.04 147.94 16.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 O-C-N 123.102 0.251 . . . . 0.0 110.699 167.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -15.27 -76.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 128.966 2.906 . . . . 0.0 113.124 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 164.38 -44.3 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 130.834 3.654 . . . . 0.0 105.405 -164.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 p -95.53 19.19 11.38 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.772 2.029 . . . . 0.0 110.609 172.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.79 35.58 35.29 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.272 0.939 . . . . 0.0 114.442 162.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.2 127.0 55.46 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.08 151.55 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.8 t -67.59 137.62 55.81 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 166.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -46.08 -64.91 0.63 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.922 1.689 . . . . 0.0 110.129 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.286 0.7 OUTLIER 73.58 99.89 0.07 Allowed 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 127.025 2.13 . . . . 0.0 112.263 -178.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.71 -35.41 75.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.917 172.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -159.37 160.73 35.31 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.771 0.796 . . . . 0.0 111.49 -172.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -62.55 -46.98 85.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.373 1.069 . . . . 0.0 111.957 -170.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -55.68 -48.05 75.73 Favored 'General case' 0 CA--C 1.526 0.055 0 CA-C-O 119.691 -0.195 . . . . 0.0 110.595 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.23 -53.63 47.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.5 t -53.09 -57.81 9.15 Favored 'General case' 0 C--O 1.225 -0.218 0 O-C-N 123.062 0.226 . . . . 0.0 110.779 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -50.36 -56.15 12.57 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.425 1.49 . . . . 0.0 111.453 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -51.86 -54.4 29.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 124.458 1.103 . . . . 0.0 111.423 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 mm -55.26 -46.1 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 123.814 0.846 . . . . 0.0 109.254 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.365 0.1 OUTLIER -67.13 -37.87 84.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -170.159 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.1 t -70.45 -37.83 74.39 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.607 167.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -66.16 -41.74 89.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 119.346 0.975 . . . . 0.0 110.852 -170.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -98.04 -62.9 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.338 0 C-N-CA 125.648 1.579 . . . . 0.0 108.262 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -90.07 -4.93 57.08 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.446 0.698 . . . . 0.0 112.838 -164.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 52.38 37.19 21.87 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 124.862 1.265 . . . . 0.0 111.9 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.42 140.88 44.99 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 167.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -76.22 -5.66 47.84 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.611 -0.681 . . . . 0.0 112.734 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.0 -165.47 0.24 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.992 1.317 . . . . 0.0 108.783 174.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.84 169.27 22.04 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 127.219 2.342 . . . . 0.0 107.629 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -175.17 169.2 3.32 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.314 1.446 . . . . 0.0 109.267 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.75 89.66 2.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.241 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.91 163.04 12.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 160.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 mt -22.98 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 128.916 2.886 . . . . 0.0 116.352 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -149.59 32.96 0.7 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.743 0.701 . . . . 0.0 111.483 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.31 168.0 15.46 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 121.076 -1.015 . . . . 0.0 112.902 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.08 102.58 10.32 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.386 1.074 . . . . 0.0 110.559 169.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -59.99 151.35 26.52 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 113.932 -1.485 . . . . 0.0 107.814 151.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 16.5 m -157.55 131.64 8.22 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 -171.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' HA ' ' CB ' ' A' ' 3' ' ' ASN . 40.4 m-85 -100.34 128.91 46.29 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 119.034 0.834 . . . . 0.0 111.892 -169.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.85 61.17 7.1 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.534 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -58.89 120.82 9.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -175.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -83.7 -57.37 3.25 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -48.11 -47.0 34.66 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.819 172.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.9 t0 45.44 81.46 0.04 OUTLIER 'General case' 0 C--N 1.341 0.239 0 CA-C-O 124.686 2.184 . . . . 0.0 110.681 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -75.46 71.32 2.4 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 111.645 -2.525 . . . . 0.0 108.889 161.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.95 57.52 6.46 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.749 1.22 . . . . 0.0 110.983 166.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.1 m -38.06 128.67 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 O-C-N 124.564 1.165 . . . . 0.0 112.015 -162.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.12 170.51 4.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 123.594 1.664 . . . . 0.0 112.597 -171.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.64 121.91 44.53 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 111.696 -2.502 . . . . 0.0 107.673 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.24 150.23 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.859 1.664 . . . . 0.0 108.19 -172.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -73.2 154.97 40.05 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.86 -43.58 83.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 122.877 1.323 . . . . 0.0 110.488 -169.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.5 72.67 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.588 171.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.7 p -69.27 -41.27 77.09 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 118.687 0.676 . . . . 0.0 111.522 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -49.5 -59.81 3.41 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 t -51.17 -56.15 14.27 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.407 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -50.01 -43.86 50.91 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.736 0.814 . . . . 0.0 110.908 176.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.2 m -106.72 34.35 3.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.071 1.348 . . . . 0.0 112.214 -169.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -125.7 -59.63 1.35 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.93 1.241 . . . . 0.0 112.072 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.17 -24.27 23.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.765 1.226 . . . . 0.0 112.089 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -20.43 -67.61 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 129.527 3.131 . . . . 0.0 113.591 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mm -89.71 -47.28 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.566 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.816 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -35.65 117.19 0.42 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.36 1.464 . . . . 0.0 110.585 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 -159.18 7.87 Favored Glycine 0 N--CA 1.459 0.185 0 N-CA-C 108.042 -2.023 . . . . 0.0 108.042 -166.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.02 156.34 24.27 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.047 154.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.15 139.54 30.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.789 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 m -137.08 143.67 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 149.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -158.05 0.37 Allowed 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.115 0.884 . . . . 0.0 111.175 -172.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t -72.91 48.54 0.21 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.526 -1.216 . . . . 0.0 109.244 154.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -165.87 -53.77 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.368 1.067 . . . . 0.0 109.687 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.32 31.88 66.97 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 123.502 0.572 . . . . 0.0 113.445 -171.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.28 81.59 0.09 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 157.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 m -46.81 121.95 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 122.006 0.908 . . . . 0.0 112.054 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.8 m -78.08 75.62 4.61 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -47.59 -62.39 1.47 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.814 1.245 . . . . 0.0 109.374 169.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.3 p 56.94 178.4 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.753 2.421 . . . . 0.0 115.577 169.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -50.2 0.95 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.503 1.521 . . . . 0.0 110.029 173.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.97 75.05 5.49 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.076 -1.015 . . . . 0.0 111.72 -171.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -18.79 -50.62 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.831 2.852 . . . . 0.0 116.293 174.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -48.34 -47.72 36.79 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.846 1.258 . . . . 0.0 111.424 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.59 -50.51 69.92 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.922 0.889 . . . . 0.0 109.749 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.29 -53.37 58.08 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.041 0.448 . . . . 0.0 109.802 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -47.46 65.29 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.719 1.208 . . . . 0.0 110.015 176.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.73 -56.17 24.91 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 121.791 -0.568 . . . . 0.0 111.836 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.9 mm -53.56 -50.93 46.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.987 0.915 . . . . 0.0 109.888 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.0 m -46.22 -50.92 15.25 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.569 1.947 . . . . 0.0 110.655 176.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -76.66 -31.67 57.45 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.644 -1.285 . . . . 0.0 112.751 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -46.18 63.42 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.225 -0.922 . . . . 0.0 110.702 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 t -105.16 -53.2 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 C-N-CA 125.485 1.514 . . . . 0.0 109.294 -172.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -75.96 -45.21 36.1 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.174 -167.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.306 21.3 m-85 82.97 31.85 0.08 Allowed 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 126.341 1.856 . . . . 0.0 111.037 -171.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 162.17 0.28 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.994 144.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 t -92.31 -22.31 19.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.783 0.833 . . . . 0.0 111.912 164.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -167.48 -157.11 0.22 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.33 174.29 31.0 Favored Glycine 0 C--N 1.338 0.653 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 -170.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.45 172.43 7.1 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.447 1.099 . . . . 0.0 109.533 177.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.0 m -76.73 89.46 3.39 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 125.835 1.654 . . . . 0.0 108.98 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.5 t -83.89 163.67 19.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.792 1.237 . . . . 0.0 109.733 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -39.67 -21.49 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 129.892 3.277 . . . . 0.0 117.557 -167.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.02 22.1 0.37 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.087 1.312 . . . . 0.0 113.658 166.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -173.44 -173.81 0.93 Allowed 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.038 -1.039 . . . . 0.0 109.854 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 104.58 17.15 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 125.354 1.461 . . . . 0.0 109.987 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.13 147.89 28.46 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-N 114.559 -1.201 . . . . 0.0 109.294 161.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.501 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 17.0 m -136.48 117.77 14.59 Favored 'General case' 0 N--CA 1.413 -2.317 0 O-C-N 125.659 1.849 . . . . 0.0 106.41 172.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -75.32 151.42 38.28 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.054 0.942 . . . . 0.0 109.826 170.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.52 48.9 27.77 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 124.762 1.172 . . . . 0.0 112.234 172.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 49.8 mt -63.18 146.89 52.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 163.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -133.16 -51.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.833 0.853 . . . . 0.0 110.024 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -62.39 165.28 6.24 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.607 157.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -143.34 100.98 3.72 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 170.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -56.01 7.56 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.818 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -177.91 57.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.254 2.222 . . . . 0.0 107.045 170.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.0 m -60.17 151.09 5.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.125 0.488 . . . . 0.0 110.125 -168.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.6 161.13 31.27 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 123.513 1.625 . . . . 0.0 110.87 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -124.8 70.46 1.14 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 111.617 -2.538 . . . . 0.0 105.946 -157.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 pt -90.06 157.8 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.849 -150.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.69 145.08 53.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.18 -39.81 93.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.524 2.33 . . . . 0.0 110.929 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.13 -60.98 2.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.756 166.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -38.48 80.86 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -48.68 -55.01 12.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.825 0.739 . . . . 0.0 110.583 173.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.3 t -63.21 -56.55 15.69 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.343 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -51.63 -30.69 22.39 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 126.471 1.909 . . . . 0.0 112.22 -175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.4 m -120.83 33.23 5.64 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.745 -1.121 . . . . 0.0 111.035 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -137.71 -51.37 0.62 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.154 1.343 . . . . 0.0 111.585 164.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.71 -35.3 13.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.679 1.192 . . . . 0.0 110.824 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -20.35 -66.54 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 128.69 2.796 . . . . 0.0 113.045 165.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.1 mt -100.41 -40.66 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.6 mm . . . . . 0 C--O 1.231 0.117 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.137 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 45' ' ' PHE . 12.0 p-10 -65.04 108.08 1.71 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.002 -1.061 . . . . 0.0 108.804 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.6 -167.6 16.51 Favored Glycine 0 CA--C 1.522 0.485 0 C-N-CA 126.02 1.771 . . . . 0.0 109.166 -166.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -106.36 147.28 29.42 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 118.803 -1.159 . . . . 0.0 108.37 146.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.85 137.44 40.15 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 125.221 1.576 . . . . 0.0 109.517 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.64 161.99 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.223 0.609 . . . . 0.0 110.07 165.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -52.03 168.48 0.09 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.759 1.223 . . . . 0.0 111.051 165.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -52.31 -20.7 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.652 -1.613 . . . . 0.0 112.536 169.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 p -125.79 31.98 5.38 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.674 1.124 . . . . 0.0 111.707 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.55 42.65 13.6 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 114.275 0.47 . . . . 0.0 114.275 157.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -123.64 131.7 53.68 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.608 0.763 . . . . 0.0 109.538 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 m -76.22 136.33 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 122.994 0.518 . . . . 0.0 110.152 -176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -82.9 68.94 9.59 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 177.49 2.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.007 0.432 . . . . 0.0 110.828 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.7 p 160.96 174.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 126.847 2.059 . . . . 0.0 111.167 -162.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.12 -42.14 9.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.919 0.888 . . . . 0.0 111.156 162.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.69 117.03 12.75 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.351 -0.843 . . . . 0.0 113.156 -168.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -48.96 -51.4 30.59 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.18 0.992 . . . . 0.0 110.999 170.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -56.47 -49.88 73.37 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.704 0.801 . . . . 0.0 110.497 -174.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -49.92 -60.0 3.33 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.043 0.937 . . . . 0.0 110.247 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -51.48 -53.8 33.63 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.451 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -49.45 75.69 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -176.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -52.64 -53.23 49.92 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 124.561 1.144 . . . . 0.0 110.795 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.9 mm -60.6 -48.34 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.267 0.627 . . . . 0.0 109.896 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -37.09 85.83 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.92 -168.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.7 t -76.04 -47.58 24.2 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 123.324 0.39 . . . . 0.0 111.204 169.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -52.6 -52.5 55.05 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.875 0.87 . . . . 0.0 110.786 -170.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 t -89.26 -60.25 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 C-N-CA 124.268 1.027 . . . . 0.0 108.591 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.64 17.64 21.1 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 p90 54.65 36.42 26.02 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 159.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.71 -173.68 0.05 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.561 0.344 . . . . 0.0 110.119 147.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.9 p -108.01 -93.1 0.41 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.433 1.093 . . . . 0.0 108.798 168.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -83.45 -164.84 0.96 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.014 1.326 . . . . 0.0 109.328 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.16 170.51 16.87 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 -174.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -175.07 160.4 2.75 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.033 1.733 . . . . 0.0 108.766 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.0 m -75.37 88.5 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.69 168.89 4.43 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.921 1.289 . . . . 0.0 108.561 169.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 tp 0.44 -64.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 130.529 3.532 . . . . 0.0 115.349 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.38 39.36 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.707 1.203 . . . . 0.0 110.249 173.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 m -161.74 153.51 19.04 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.193 -0.942 . . . . 0.0 110.673 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.8 t -86.54 103.68 15.28 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.942 0.877 . . . . 0.0 110.906 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.85 150.31 48.78 Favored 'General case' 0 CA--C 1.495 -1.158 0 C-N-CA 126.422 1.889 . . . . 0.0 108.715 169.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 47' ' ' LEU 0.265 23.6 m -158.62 110.47 2.21 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -157.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HA ' ' CB ' ' A' ' 3' ' ' ASN . 24.8 m-85 -83.55 141.09 31.84 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 123.188 0.305 . . . . 0.0 110.639 -168.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.44 61.3 5.16 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 124.241 0.924 . . . . 0.0 111.905 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.537 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 1.8 mt -63.4 116.12 5.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 163.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -92.12 -76.26 0.46 Allowed 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.05 149.89 2.58 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 153.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.95 85.33 2.36 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 129.257 3.023 . . . . 0.0 106.569 -163.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -83.34 56.73 3.67 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 126.534 1.934 . . . . 0.0 107.4 -175.274 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 38.25 55.95 1.74 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.83 1.652 . . . . 0.0 109.865 -166.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.91 144.98 8.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 CA-C-O 121.313 0.578 . . . . 0.0 109.727 -166.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.22 164.6 26.45 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 124.167 1.937 . . . . 0.0 114.243 -162.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -83.47 66.61 8.98 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 111.846 -2.433 . . . . 0.0 107.579 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.49 134.9 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.118 -176.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.08 146.84 23.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -172.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.79 -41.86 91.46 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 125.528 1.531 . . . . 0.0 110.84 -168.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.42 -54.11 36.4 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.078 166.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.3 p -68.01 -30.53 69.8 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.15 -1.02 . . . . 0.0 112.529 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -54.21 -58.0 9.05 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.011 1.325 . . . . 0.0 107.856 173.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -63.25 -48.4 78.35 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 119.087 -1.045 . . . . 0.0 110.987 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -49.55 -42.36 43.92 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 123.609 0.764 . . . . 0.0 111.123 176.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 59.7 m -125.34 52.59 1.6 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.916 1.286 . . . . 0.0 111.134 -167.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -139.59 -60.57 0.55 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.445 0.641 . . . . 0.0 110.818 164.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -45.78 -37.54 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.238 1.815 . . . . 0.0 111.456 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -22.48 -63.16 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 128.292 2.637 . . . . 0.0 112.918 168.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.9 mt -106.65 -35.53 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 C-N-CA 124.388 1.075 . . . . 0.0 108.55 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 C--N 1.34 0.191 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 168.727 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -125.2 152.74 44.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.513 1.052 . . . . 0.0 109.502 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.56 168.38 40.75 Favored Glycine 0 CA--C 1.52 0.345 0 O-C-N 121.206 -0.934 . . . . 0.0 110.801 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -86.13 108.29 18.24 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 171.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.03 137.28 40.13 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -172.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 m -143.1 159.48 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 166.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -160.0 0.38 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.511 0.672 . . . . 0.0 109.742 172.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -74.51 47.79 0.32 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.006 154.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -135.2 -58.6 0.79 Allowed 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.905 1.282 . . . . 0.0 108.589 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.69 64.56 3.36 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 122.349 0.971 . . . . 0.0 110.923 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.63 147.05 52.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 104.533 -2.395 . . . . 0.0 104.533 154.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -75.21 126.75 36.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 121.163 0.506 . . . . 0.0 111.088 -167.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 m -75.39 64.04 1.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.376 0.67 . . . . 0.0 109.309 170.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 177.82 1.11 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 168.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.5 p 155.15 169.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.272 1.829 . . . . 0.0 110.731 -162.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.96 -37.55 5.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.881 1.272 . . . . 0.0 110.012 158.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.07 80.17 2.91 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.116 -0.99 . . . . 0.0 110.943 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -27.06 -45.98 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.477 2.311 . . . . 0.0 114.635 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -41.84 -48.7 4.41 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.2 1.4 . . . . 0.0 112.88 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.42 -56.3 22.88 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.621 0.646 . . . . 0.0 109.985 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.13 -55.37 21.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.733 0.813 . . . . 0.0 109.203 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -51.68 -56.42 13.78 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 123.788 0.835 . . . . 0.0 111.908 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -49.86 -54.8 17.22 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.276 1.431 . . . . 0.0 111.787 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.47 -47.38 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.636 0.731 . . . . 0.0 109.764 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.85 -40.07 91.38 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.465 -169.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -71.9 -42.28 66.94 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 172.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -53.76 -50.44 66.02 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 123.576 0.75 . . . . 0.0 111.293 -175.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.6 t -98.64 -50.5 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 123.816 0.847 . . . . 0.0 110.722 -171.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -103.17 -7.49 21.2 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 124.259 1.024 . . . . 0.0 112.716 -168.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.323 60.9 m-85 65.95 33.14 8.03 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.64 179.08 0.26 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.717 0.77 . . . . 0.0 112.705 157.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.8 p -129.79 -83.76 0.55 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.771 2.428 . . . . 0.0 107.22 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 m -77.49 171.27 15.16 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 167.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.95 156.3 8.3 Favored Glycine 0 C--N 1.33 0.225 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 -167.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -179.9 176.64 0.73 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -158.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 m -76.09 97.23 4.02 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 174.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.67 160.29 23.76 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 169.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -9.05 -62.07 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 129.992 3.317 . . . . 0.0 114.977 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.46 5.76 3.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.971 1.308 . . . . 0.0 112.857 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -163.54 -175.69 4.31 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 121.239 -0.913 . . . . 0.0 111.425 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.7 t -109.65 108.76 19.28 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 124.351 1.061 . . . . 0.0 111.61 -162.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -92.62 153.57 18.92 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.984 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.5 m -149.63 150.36 32.05 Favored 'General case' 0 N--CA 1.418 -2.061 0 O-C-N 125.211 1.569 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -128.36 122.49 31.61 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 128.123 2.569 . . . . 0.0 105.056 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.82 -14.63 37.92 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 117.362 -1.799 . . . . 0.0 113.453 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.516 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -32.8 101.44 0.02 OUTLIER 'General case' 0 C--N 1.35 0.621 0 C-N-CA 125.949 1.699 . . . . 0.0 110.366 175.551 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.55 -49.81 73.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.983 1.313 . . . . 0.0 109.253 -168.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -101.72 159.75 15.05 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 112.727 -2.033 . . . . 0.0 108.229 160.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -122.11 33.12 5.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.814 1.646 . . . . 0.0 110.658 -166.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -10.57 -64.88 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.129 1 C-N-CA 131.726 4.01 . . . . 0.0 114.216 -156.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.51 54.05 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.152 -1.386 . . . . 0.0 107.449 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 m -55.06 144.66 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-O 121.967 0.889 . . . . 0.0 112.408 -169.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.73 167.37 20.03 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 123.025 1.393 . . . . 0.0 109.43 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.32 132.98 43.35 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 112.823 -1.989 . . . . 0.0 109.765 -175.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -98.88 138.05 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 124.646 1.179 . . . . 0.0 108.969 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.64 147.08 47.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 168.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -40.31 95.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 122.924 1.345 . . . . 0.0 111.032 -168.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.66 82.68 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.765 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -41.77 68.0 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 118.89 0.768 . . . . 0.0 109.486 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -50.03 -61.07 2.36 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 125.32 1.448 . . . . 0.0 108.429 172.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -53.21 -54.83 30.31 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.587 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -49.0 -43.53 40.32 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 124.332 1.053 . . . . 0.0 111.153 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 91.1 m -109.64 40.09 1.96 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 112.216 -172.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -133.79 -53.53 0.87 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.582 1.537 . . . . 0.0 110.979 167.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.6 t -48.79 -31.94 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.003 1.321 . . . . 0.0 111.782 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -17.39 -61.08 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 129.641 3.176 . . . . 0.0 114.559 170.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.9 mm -67.78 -27.1 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 122.615 0.366 . . . . 0.0 111.65 -170.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.3 mt . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.731 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.18 150.97 2.2 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.641 1.176 . . . . 0.0 110.236 167.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 -137.43 2.27 Favored Glycine 0 C--N 1.328 0.091 0 N-CA-C 107.721 -2.152 . . . . 0.0 107.721 156.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -111.43 135.48 51.93 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 118.647 1.224 . . . . 0.0 112.154 160.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.88 130.63 40.85 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 124.312 1.008 . . . . 0.0 109.311 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.443 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 27.9 m -138.22 153.05 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 160.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -93.72 -152.97 0.35 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.057 0.456 . . . . 0.0 111.617 -169.679 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -68.83 48.12 0.06 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.91 149.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 8' ' ' ASP . 65.4 p -141.09 -49.48 0.42 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 127.087 2.155 . . . . 0.0 109.697 175.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.443 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 82.33 12.09 81.14 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.932 1.253 . . . . 0.0 111.52 -165.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -91.5 132.24 36.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.094 0.947 . . . . 0.0 109.658 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.69 160.56 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.074 0.95 . . . . 0.0 109.422 168.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -86.25 127.56 34.78 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 158.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -70.18 -71.16 0.25 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.163 0.985 . . . . 0.0 108.494 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.4 p 59.77 178.31 0.09 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 127.599 2.359 . . . . 0.0 116.042 160.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.85 -43.98 1.21 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.83 1.652 . . . . 0.0 111.653 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.89 116.43 11.18 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.108 -0.995 . . . . 0.0 112.986 -172.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -60.25 -53.82 53.1 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.894 0.877 . . . . 0.0 110.403 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -43.63 82.46 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.209 0.604 . . . . 0.0 110.683 -175.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -51.3 -55.46 18.2 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -50.76 72.52 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.458 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -44.1 -49.44 8.9 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.026 1.331 . . . . 0.0 111.415 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.94 -51.2 70.26 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 121.827 -0.546 . . . . 0.0 111.191 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.8 mm -56.52 -54.0 33.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.581 1.153 . . . . 0.0 110.179 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.7 m -42.06 -55.86 3.04 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 128.505 2.722 . . . . 0.0 110.369 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 t -75.11 -33.23 61.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.053 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -52.51 -53.07 50.99 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 124.012 0.925 . . . . 0.0 112.289 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -115.39 -44.34 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 123.654 0.781 . . . . 0.0 110.253 -165.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -89.0 -2.68 58.7 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.03 1.332 . . . . 0.0 111.388 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.291 85.6 m-85 47.89 37.6 7.68 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.575 1.55 . . . . 0.0 112.226 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.54 173.34 0.97 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.839 0.828 . . . . 0.0 110.28 162.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -97.07 -91.22 0.25 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 166.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 m -85.73 -167.42 1.84 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.824 1.25 . . . . 0.0 110.346 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.22 170.31 15.38 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -173.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -176.51 168.98 2.67 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.83 1.252 . . . . 0.0 109.167 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -76.55 89.06 3.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.3 t -59.47 159.43 8.19 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 168.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -9.7 -57.19 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.28 3.032 . . . . 0.0 115.572 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.41 47.47 0.75 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.018 0.437 . . . . 0.0 110.73 168.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -162.06 170.21 19.62 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 120.923 -1.11 . . . . 0.0 110.381 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 t -103.0 95.73 6.33 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 122.023 0.916 . . . . 0.0 111.334 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.9 145.61 56.06 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-N 113.425 -1.716 . . . . 0.0 109.42 172.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.611 ' HB3' ' CD2' ' A' ' 47' ' ' LEU 0.281 16.3 m -146.59 137.8 24.3 Favored 'General case' 0 N--CA 1.418 -2.065 0 O-C-N 126.049 2.093 . . . . 0.0 105.698 -174.709 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -103.71 134.01 47.75 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.249 0.931 . . . . 0.0 109.914 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.46 60.75 8.08 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.611 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 3.7 mt -56.98 129.77 43.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 170.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -108.52 -62.45 1.46 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -169.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.495 ' CG ' ' HZ2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -47.41 -61.85 1.72 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.526 -1.215 . . . . 0.0 107.762 157.529 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.2 t0 44.57 62.13 2.17 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 123.354 1.549 . . . . 0.0 109.227 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.495 ' HZ2' ' CG ' ' A' ' 49' ' ' ASP 0.282 0.0 OUTLIER -60.12 -31.74 70.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.741 -175.315 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.94 109.14 0.11 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.512 1.525 . . . . 0.0 108.431 154.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.9 m -53.43 149.75 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 119.889 1.222 . . . . 0.0 109.39 166.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tp -67.09 166.46 13.82 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 123.929 1.823 . . . . 0.0 112.407 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.25 71.78 10.2 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 111.658 -2.519 . . . . 0.0 107.265 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.27 147.27 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.235 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.57 137.21 32.52 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.96 -45.17 86.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.96 1.362 . . . . 0.0 111.827 -159.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.1 77.66 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.748 172.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.1 p -72.75 -36.08 67.62 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 118.582 -1.247 . . . . 0.0 111.85 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -49.7 -58.62 4.94 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 125.45 1.5 . . . . 0.0 108.686 169.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.3 m -55.24 -51.92 65.07 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.788 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -53.44 -42.64 67.34 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.058 0.543 . . . . 0.0 111.417 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.9 m -106.28 29.15 7.06 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 125.107 1.363 . . . . 0.0 113.016 -168.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -124.86 -52.25 1.68 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.132 1.333 . . . . 0.0 111.281 169.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.5 t -52.16 -31.89 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 124.557 1.143 . . . . 0.0 112.01 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -20.4 -71.03 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 130.406 3.482 . . . . 0.0 113.429 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.6 -16.57 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 124.215 1.006 . . . . 0.0 110.885 -175.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 174.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 58.34 98.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.412 2.285 . . . . 0.0 110.251 175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.01 -159.76 11.14 Favored Glycine 0 N--CA 1.462 0.388 0 C-N-CA 125.899 1.714 . . . . 0.0 109.295 -165.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -113.33 131.31 56.01 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 162.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.96 133.41 52.99 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 119.647 -0.821 . . . . 0.0 112.263 -167.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.4 m -149.55 150.12 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 126.698 1.999 . . . . 0.0 105.871 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.29 -66.73 0.33 Allowed 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 126.162 1.785 . . . . 0.0 112.107 -168.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -168.27 36.55 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 126.438 1.895 . . . . 0.0 107.381 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.7 p -162.61 -73.11 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -174.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.64 46.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 -177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.91 73.87 2.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.712 1.256 . . . . 0.0 108.921 171.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.11 119.58 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 121.925 0.869 . . . . 0.0 110.379 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -79.52 68.3 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.046 0.938 . . . . 0.0 109.435 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 175.17 2.76 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.195 171.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.9 p 157.69 175.29 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 128.656 2.782 . . . . 0.0 111.03 -172.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -94.18 -42.75 8.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.15 0.98 . . . . 0.0 111.167 160.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.4 71.16 5.95 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.181 -0.95 . . . . 0.0 112.033 -171.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -7.56 -56.57 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.093 2.957 . . . . 0.0 116.892 168.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -50.28 -38.57 41.81 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.147 1.379 . . . . 0.0 112.077 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -52.07 -52.89 48.3 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.766 0.426 . . . . 0.0 110.122 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -53.66 55.46 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -49.17 -56.65 8.56 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.419 1.088 . . . . 0.0 111.272 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -49.14 -58.73 4.48 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 124.706 1.202 . . . . 0.0 111.321 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.1 mm -57.55 -41.22 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.267 0.9 OUTLIER -65.83 -41.59 91.6 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 120.434 -0.506 . . . . 0.0 112.054 -166.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -71.46 -48.78 47.11 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 170.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.66 -50.29 60.67 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.626 1.17 . . . . 0.0 111.908 -170.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -97.17 -52.61 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.517 0 C-N-CA 125.288 1.435 . . . . 0.0 109.674 -172.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -104.57 0.25 28.45 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -165.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.281 99.1 m-85 54.03 46.47 25.43 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.47 176.75 0.45 Allowed 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.818 139.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.9 p -109.3 -30.64 7.9 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.563 1.945 . . . . 0.0 110.82 161.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.76 -164.18 1.95 Allowed 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.46 -0.775 . . . . 0.0 110.095 174.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 175.71 20.21 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 -165.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -171.81 165.61 6.51 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.427 1.491 . . . . 0.0 108.109 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.5 m -75.64 85.35 2.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.65 167.91 14.19 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.342 1.057 . . . . 0.0 108.322 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -3.98 -55.92 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 131.008 3.723 . . . . 0.0 116.676 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.23 29.87 0.44 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 172.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -170.48 171.21 6.58 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.156 -0.965 . . . . 0.0 110.63 -173.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.3 t -95.84 100.82 12.48 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.02 152.72 44.88 Favored 'General case' 0 CA--C 1.482 -1.671 0 O-C-N 125.394 1.684 . . . . 0.0 108.975 167.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 94.8 m -152.21 116.08 4.87 Favored 'General case' 0 N--CA 1.404 -2.733 0 O-C-N 126.066 2.104 . . . . 0.0 107.865 -171.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -86.21 143.9 27.73 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.782 1.633 . . . . 0.0 108.741 171.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.21 2.81 79.82 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 117.965 -1.464 . . . . 0.0 114.212 171.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.523 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 7.4 mt -40.82 123.53 1.93 Allowed 'General case' 0 C--N 1.344 0.346 0 CA-C-N 118.483 1.142 . . . . 0.0 112.051 -173.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -117.52 -64.55 1.29 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 124.468 1.107 . . . . 0.0 110.276 -170.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -63.45 -39.67 95.08 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.684 1.194 . . . . 0.0 109.811 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 t0 56.96 47.43 17.69 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 123.163 1.458 . . . . 0.0 110.929 163.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -37.29 -66.07 0.26 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.812 2.045 . . . . 0.0 112.634 -168.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.38 64.31 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 -172.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.2 m -64.08 154.72 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.496 -167.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.05 168.29 10.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 123.02 1.391 . . . . 0.0 110.303 169.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -115.22 118.27 32.84 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 127.584 2.354 . . . . 0.0 106.391 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.5 pt -113.97 140.24 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.779 0.323 . . . . 0.0 110.371 -159.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.05 145.47 46.37 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.213 0.605 . . . . 0.0 109.671 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -58.05 -51.88 67.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 122.227 1.013 . . . . 0.0 109.899 -173.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.29 -37.92 50.03 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.265 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.57 -43.16 70.03 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.889 0.768 . . . . 0.0 109.345 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -59.92 3.68 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -50.81 -52.45 41.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.656 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -53.98 -44.02 70.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.501 0.721 . . . . 0.0 110.899 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.6 m -108.01 26.89 9.83 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.391 1.076 . . . . 0.0 113.17 -168.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -100.32 -73.55 0.63 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.666 1.121 . . . . 0.0 110.62 175.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.9 t -56.19 -27.23 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.81 1.644 . . . . 0.0 112.554 -169.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -28.61 -67.29 0.07 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 128.981 2.912 . . . . 0.0 112.793 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.87 -39.88 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 124.085 0.954 . . . . 0.0 109.052 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 171.388 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 33.6 p-10 -126.92 142.67 51.49 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.177 1.391 . . . . 0.0 108.082 166.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.99 168.57 40.88 Favored Glycine 0 CA--C 1.521 0.461 0 O-C-N 121.288 -0.883 . . . . 0.0 112.872 -155.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -83.11 102.84 12.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.609 1.163 . . . . 0.0 109.943 171.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.33 136.97 34.91 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.766 0.666 . . . . 0.0 109.45 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 21.1 m -135.63 151.29 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -1.08 -77.92 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 128.098 2.559 . . . . 0.0 113.595 159.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t 174.92 -42.04 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 131.31 3.844 . . . . 0.0 105.419 -168.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.4 t -89.56 -61.57 1.67 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.887 1.275 . . . . 0.0 109.118 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.413 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 162.62 27.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 117.135 1.614 . . . . 0.0 117.135 -174.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 83.86 2.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.293 1.547 . . . . 0.0 108.065 173.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.1 m -57.05 122.99 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -83.41 57.98 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.82 -0.55 . . . . 0.0 109.605 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -33.01 -82.2 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.801 2.441 . . . . 0.0 113.65 -166.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 71.84 166.99 0.31 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.151 1.78 . . . . 0.0 114.818 175.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.61 -55.12 2.51 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.46 1.504 . . . . 0.0 110.904 166.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.36 83.71 5.36 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.708 -1.245 . . . . 0.0 111.781 -171.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -12.52 -56.61 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 129.51 3.124 . . . . 0.0 116.319 171.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -39.39 -47.23 1.75 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.527 1.131 . . . . 0.0 112.102 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -53.56 -46.24 70.2 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.832 0.853 . . . . 0.0 111.669 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -49.21 74.17 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -41.32 58.52 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.331 0.514 . . . . 0.0 111.264 174.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.34 -57.46 12.9 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 121.667 -0.645 . . . . 0.0 111.452 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.58 -47.32 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 O-C-N 121.78 -0.575 . . . . 0.0 110.142 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.2 m -43.8 -58.69 2.59 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 127.469 2.308 . . . . 0.0 110.904 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -69.59 -42.42 74.48 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.42 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.01 -44.44 82.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.879 0.872 . . . . 0.0 111.828 -173.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.7 t -104.95 -43.81 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.157 0 C-N-CA 125.245 1.418 . . . . 0.0 111.019 -169.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -104.36 -9.35 18.55 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.117 0.967 . . . . 0.0 112.038 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.266 28.7 m-85 62.57 29.06 16.95 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.743 1.217 . . . . 0.0 112.621 -178.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.83 150.75 46.5 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.203 0.525 . . . . 0.0 110.768 168.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.9 p -84.15 -32.27 24.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.068 1.747 . . . . 0.0 110.659 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.3 t -148.06 -168.5 3.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.448 1.099 . . . . 0.0 108.895 177.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.68 169.14 13.61 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 -166.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -175.29 175.13 2.26 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -173.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 71.1 m -93.55 87.19 5.44 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 -171.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.4 t -69.04 164.55 22.16 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.647 1.579 . . . . 0.0 109.38 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tp -10.75 -59.11 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 129.466 3.106 . . . . 0.0 115.233 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -153.2 39.38 0.51 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.534 1.134 . . . . 0.0 109.291 174.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -161.89 175.12 12.21 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 120.62 -1.3 . . . . 0.0 110.942 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 t -112.33 110.29 20.43 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 111.969 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -87.6 149.23 24.45 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.44 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.3 m -135.97 161.29 36.06 Favored 'General case' 0 N--CA 1.423 -1.802 0 C-N-CA 126.353 1.861 . . . . 0.0 108.416 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -128.05 132.01 49.09 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 126.268 1.827 . . . . 0.0 108.435 170.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.28 42.14 10.91 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.857 1.217 . . . . 0.0 111.835 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 2.8 mp -67.41 78.98 0.16 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.087 1.444 . . . . 0.0 108.616 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.85 -48.87 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.49 1.116 . . . . 0.0 109.253 -176.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -64.4 -62.12 1.8 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 113.689 -1.596 . . . . 0.0 111.07 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t0 39.12 88.25 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.671 2.389 . . . . 0.0 112.792 -176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -58.04 -52.89 63.64 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 112.476 -2.147 . . . . 0.0 109.885 173.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -179.1 70.07 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.454 1.101 . . . . 0.0 109.741 -173.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.9 m -59.59 151.02 5.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 119.023 -1.071 . . . . 0.0 112.391 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.12 170.76 13.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.786 1.279 . . . . 0.0 111.975 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -109.66 121.87 46.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.687 2.395 . . . . 0.0 105.421 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 pt -122.21 145.66 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -158.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 146.29 26.29 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 122.984 0.513 . . . . 0.0 109.833 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -56.07 -56.77 16.84 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.03 -35.76 26.15 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.148 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -40.91 64.22 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.908 0.777 . . . . 0.0 109.896 177.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -57.73 11.07 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 119.078 0.854 . . . . 0.0 109.0 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -55.81 -45.27 78.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.267 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -59.07 -45.27 91.23 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 122.31 -0.244 . . . . 0.0 110.596 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.2 m -111.41 42.09 1.75 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.923 1.289 . . . . 0.0 112.821 -168.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -117.43 -69.33 0.86 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 119.257 0.935 . . . . 0.0 110.437 165.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.42 -19.94 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.415 1.486 . . . . 0.0 112.998 -170.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -29.79 -61.97 0.14 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 128.723 2.809 . . . . 0.0 114.073 -176.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.0 mm -68.26 -30.17 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 122.786 0.435 . . . . 0.0 111.43 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 175.399 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt . . . . . 0 C--O 1.225 -0.217 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.455 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 26.1 m-20 -125.32 149.15 48.35 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 104.829 -2.285 . . . . 0.0 104.829 159.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.36 171.16 44.15 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 119.441 1.019 . . . . 0.0 111.901 -169.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -82.91 123.56 29.52 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 122.948 0.499 . . . . 0.0 110.345 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.33 141.29 28.88 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.8 m -121.69 160.13 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 C-N-CA 123.572 0.749 . . . . 0.0 110.413 168.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -170.85 0.11 Allowed 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.246 1.418 . . . . 0.0 113.858 -167.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -76.8 48.93 0.6 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 113.236 -1.802 . . . . 0.0 108.97 159.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 m -170.89 -38.18 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 127.112 2.165 . . . . 0.0 110.011 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.08 2.39 33.88 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 124.509 1.052 . . . . 0.0 112.069 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -67.75 149.36 50.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.792 1.296 . . . . 0.0 107.923 165.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.86 -177.01 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 162.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.7 m -118.92 144.18 46.58 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 149.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -75.05 0.13 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.96 1.704 . . . . 0.0 107.074 175.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.28 12.6 p 66.77 154.31 0.09 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 128.987 2.915 . . . . 0.0 113.863 -176.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -109.64 -51.27 2.89 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.797 1.239 . . . . 0.0 108.48 174.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.12 106.47 17.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.322 0.649 . . . . 0.0 109.975 -177.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -35.18 -43.68 0.23 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.478 1.511 . . . . 0.0 113.365 170.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -48.88 -45.27 40.85 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.807 1.243 . . . . 0.0 111.75 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.44 -53.78 49.53 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 176.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -56.69 -49.99 73.47 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.523 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -61.68 -51.34 68.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.41 -177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -50.9 -53.89 28.73 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.424 0.689 . . . . 0.0 111.796 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -58.28 -47.49 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-O 121.548 0.689 . . . . 0.0 109.659 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -39.34 78.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.3 -166.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 t -67.05 -42.69 84.34 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 170.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -54.87 -46.3 74.71 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 121.741 -0.599 . . . . 0.0 111.667 -176.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.3 t -105.57 -42.32 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 124.211 1.004 . . . . 0.0 111.71 -167.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -110.85 3.7 19.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.025 1.33 . . . . 0.0 111.662 -170.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.269 33.3 m-85 55.85 27.98 11.75 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 125.07 1.348 . . . . 0.0 113.976 176.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.58 148.69 23.33 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 122.881 0.472 . . . . 0.0 111.192 168.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.2 t -100.06 -11.29 20.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.745 1.618 . . . . 0.0 112.168 170.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -157.19 -167.29 2.28 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.553 1.07 . . . . 0.0 109.026 168.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.39 -175.82 27.49 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 108.134 -1.986 . . . . 0.0 108.134 -170.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 169.14 174.2 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 125.374 1.469 . . . . 0.0 108.835 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.3 m -78.2 87.3 4.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -74.34 161.92 29.39 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -7.12 -62.53 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 130.171 3.389 . . . . 0.0 114.976 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.0 mt -131.18 1.2 4.2 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.116 1.366 . . . . 0.0 112.813 -174.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -159.88 151.08 19.5 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 120.992 -1.068 . . . . 0.0 112.826 -170.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 119.75 8.68 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.278 1.031 . . . . 0.0 112.547 169.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -99.16 156.31 17.02 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 126.169 1.788 . . . . 0.0 109.313 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.3 m -140.1 159.83 41.31 Favored 'General case' 0 N--CA 1.416 -2.14 0 C-N-CA 124.877 1.271 . . . . 0.0 108.407 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -129.05 133.02 47.54 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.549 1.94 . . . . 0.0 106.339 171.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.82 37.11 13.88 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.06 1.314 . . . . 0.0 113.009 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.616 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 2.7 mp -66.54 107.89 2.23 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 118.616 1.208 . . . . 0.0 108.831 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -1.56 -85.24 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 128.289 2.635 . . . . 0.0 112.025 171.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -127.9 -174.83 3.3 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.02 1.328 . . . . 0.0 109.296 156.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -82.19 63.57 6.45 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 124.171 1.938 . . . . 0.0 108.979 171.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -35.75 65.3 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 112.89 -1.959 . . . . 0.0 110.517 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 173.42 73.97 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.966 2.106 . . . . 0.0 108.418 163.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 m -73.09 166.18 2.75 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 C-N-CA 118.396 -1.322 . . . . 0.0 110.889 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.5 mp -95.4 166.67 11.76 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 124.056 1.884 . . . . 0.0 113.035 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -85.01 73.38 10.69 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 111.714 -2.494 . . . . 0.0 110.418 -166.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 pt -49.24 132.72 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.571 168.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 151.13 35.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 176.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.5 -52.58 64.82 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 122.498 1.142 . . . . 0.0 110.196 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.19 -39.18 55.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.131 174.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -39.27 73.36 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 118.763 0.71 . . . . 0.0 109.282 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.44 -60.32 3.46 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 174.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 t -53.82 -45.11 70.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.055 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -60.3 -43.98 95.8 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.023 0.529 . . . . 0.0 111.32 176.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.8 m -117.34 29.05 8.11 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.214 1.406 . . . . 0.0 113.691 -165.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -117.67 -67.69 0.97 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 120.758 1.617 . . . . 0.0 110.646 172.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.2 t -52.75 -30.61 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.551 1.141 . . . . 0.0 112.563 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -23.29 -62.01 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 129.253 3.021 . . . . 0.0 114.436 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mm -68.96 -25.17 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 122.683 0.393 . . . . 0.0 111.559 -170.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.8 mt . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.068 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? . . . . . 0 N--CA 1.466 0.337 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 59.45 111.51 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 127.643 2.377 . . . . 0.0 107.688 -161.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.79 -166.01 10.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 126.638 2.066 . . . . 0.0 108.467 -163.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -119.12 136.82 53.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.023 168.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.22 141.61 39.72 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 123.708 0.63 . . . . 0.0 112.001 -171.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 m -138.9 161.04 29.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 125.243 1.417 . . . . 0.0 108.666 171.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -71.01 179.47 2.74 Favored 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 124.284 1.033 . . . . 0.0 109.45 167.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.52 63.84 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.296 1.838 . . . . 0.0 108.282 157.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.48 -31.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.221 1.808 . . . . 0.0 111.115 -167.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.91 49.2 49.96 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 119.388 0.995 . . . . 0.0 112.361 167.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -126.98 103.68 7.6 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.441 1.096 . . . . 0.0 108.376 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.59 162.75 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.111 0.481 . . . . 0.0 110.33 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 m -90.56 134.06 34.64 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 153.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -111.8 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 164.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 89.49 149.1 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 127.952 2.501 . . . . 0.0 113.363 172.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -96.42 -34.83 11.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.642 1.177 . . . . 0.0 111.523 171.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.23 66.92 5.89 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.132 -0.98 . . . . 0.0 111.228 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -3.97 -67.98 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 129.58 3.152 . . . . 0.0 116.058 174.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -57.32 -25.79 59.89 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 125.294 1.438 . . . . 0.0 112.45 -169.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -49.26 -48.72 45.61 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.205 0.457 . . . . 0.0 111.048 171.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -46.77 77.05 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.484 -173.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -44.65 -58.82 2.81 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.146 0.978 . . . . 0.0 110.906 169.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -49.73 -55.62 13.25 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.108 0.963 . . . . 0.0 111.5 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.9 mm -56.16 -43.08 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.015 0.526 . . . . 0.0 110.033 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.318 0.5 OUTLIER -66.87 -36.33 82.06 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -170.003 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.71 -49.86 42.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.927 168.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.98 -50.62 70.33 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.307 1.043 . . . . 0.0 111.23 -170.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.9 t -94.08 -59.45 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 C-N-CA 125.489 1.516 . . . . 0.0 109.504 -172.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -88.59 -32.05 18.3 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 123.71 0.804 . . . . 0.0 112.466 -163.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.347 70.3 m-85 76.35 31.46 0.62 Allowed 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 126.817 2.047 . . . . 0.0 113.302 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.98 163.61 0.48 Allowed 'General case' 0 CA--C 1.54 0.59 0 O-C-N 122.134 -0.353 . . . . 0.0 111.295 144.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 p -86.09 -84.99 0.16 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.023 0.929 . . . . 0.0 108.729 170.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -89.99 -159.27 0.58 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.059 1.343 . . . . 0.0 109.619 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.41 -179.95 20.49 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 -172.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 p90 173.83 168.57 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 C-N-CA 125.385 1.474 . . . . 0.0 108.845 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.6 m -76.25 99.73 4.85 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 38.7 t -95.48 160.36 14.55 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.114 0.966 . . . . 0.0 109.599 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -15.98 -41.34 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.347 1 C-N-CA 132.119 4.168 . . . . 0.0 117.431 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.75 13.61 0.82 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 171.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 m -161.49 171.63 17.82 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 119.259 0.936 . . . . 0.0 110.911 -175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 t -95.03 104.69 16.57 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.32 1.048 . . . . 0.0 111.316 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -81.99 156.69 24.55 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 113.4 -1.727 . . . . 0.0 110.294 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.501 ' HB3' ' CD2' ' A' ' 47' ' ' LEU 0.295 89.2 m -161.66 125.39 3.23 Favored 'General case' 0 N--CA 1.407 -2.62 0 O-C-N 126.277 2.236 . . . . 0.0 105.242 -159.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -94.42 161.49 14.21 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.89 26.58 67.34 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.268 -0.74 . . . . 0.0 112.621 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 1.1 mt -66.03 113.48 4.49 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.237 1.518 . . . . 0.0 107.007 166.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -121.53 -64.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -165.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -53.34 153.72 3.77 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.751 147.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -125.69 93.53 3.87 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 124.471 2.081 . . . . 0.0 107.527 -172.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.41 52.59 0.49 Allowed 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.209 -2.268 . . . . 0.0 109.534 177.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 41.12 56.64 2.99 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 125.535 1.534 . . . . 0.0 109.589 -169.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.34 143.74 14.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.66 0.743 . . . . 0.0 110.818 -157.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mp -72.33 173.47 8.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.526 1.631 . . . . 0.0 113.61 -167.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -82.44 69.98 9.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 112.821 -1.991 . . . . 0.0 109.967 -164.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.08 138.54 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 157.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.7 151.03 22.51 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 169.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.8 -61.16 2.43 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 125.35 1.46 . . . . 0.0 109.91 -171.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.62 -38.95 64.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.828 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -33.62 72.32 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 118.983 0.81 . . . . 0.0 109.432 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -70.65 -50.93 31.57 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 103.776 -2.676 . . . . 0.0 103.776 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.1 m -48.61 -57.59 6.0 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 117.879 0.309 . . . . 0.0 111.572 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.93 -42.38 48.29 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.887 1.275 . . . . 0.0 110.839 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.3 m -108.59 51.3 0.75 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.402 1.481 . . . . 0.0 110.971 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -139.93 -51.59 0.5 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.314 1.415 . . . . 0.0 110.977 162.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.39 -35.25 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.807 1.243 . . . . 0.0 111.597 176.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -26.03 -67.25 0.05 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 129.453 3.101 . . . . 0.0 113.46 173.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.2 mm -85.4 -37.38 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 CA--C 1.532 0.254 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 171.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -134.15 136.76 44.03 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 165.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.66 178.04 44.92 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -169.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.443 ' CD2' HG23 ' A' ' 56' ' ' ILE . 14.3 m-30 -82.35 104.8 12.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 124.117 0.539 . . . . 0.0 110.146 173.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.23 150.79 33.39 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 m -130.48 163.17 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 165.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -87.36 -163.8 0.99 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.797 1.284 . . . . 0.0 110.738 174.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -65.29 19.48 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 130.054 3.342 . . . . 0.0 113.084 169.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 8' ' ' ASP . 2.6 t -151.21 -31.31 0.17 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.61 53.68 33.63 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 119.351 0.978 . . . . 0.0 112.635 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -103.88 157.14 17.29 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 147.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -109.32 136.23 45.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 123.443 0.697 . . . . 0.0 110.836 -171.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -86.18 93.23 8.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.08 -78.35 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.052 1.741 . . . . 0.0 110.001 169.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.261 19.5 p 59.23 176.47 0.08 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 127.869 2.468 . . . . 0.0 114.083 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -125.38 -53.14 1.6 Allowed 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.0 1.32 . . . . 0.0 109.423 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.62 80.14 7.13 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.42 -0.8 . . . . 0.0 110.316 -171.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -16.31 -55.42 0.01 OUTLIER 'General case' 0 C--O 1.233 0.185 0 C-N-CA 129.711 3.204 . . . . 0.0 115.682 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -37.07 -51.62 0.96 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.337 1.055 . . . . 0.0 111.658 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -46.0 -54.49 8.29 Favored 'General case' 0 C--O 1.23 0.068 0 C-N-CA 124.896 1.279 . . . . 0.0 111.676 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -45.71 80.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -174.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -40.89 62.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.569 0.348 . . . . 0.0 111.041 171.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.05 -53.69 51.99 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 123.927 0.891 . . . . 0.0 109.99 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -59.33 -45.92 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 121.27 0.557 . . . . 0.0 109.965 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.1 m -49.29 -53.94 19.41 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.033 1.733 . . . . 0.0 110.973 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 t -73.6 -41.74 62.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.611 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -56.62 -49.14 75.85 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.769 0.827 . . . . 0.0 111.954 -171.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.81 -54.75 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.365 0 C-N-CA 125.624 1.57 . . . . 0.0 109.349 -169.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -84.51 -19.11 33.78 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 57.95 52.5 7.78 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.168 1.387 . . . . 0.0 111.729 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.5 136.26 35.0 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.19 1.396 . . . . 0.0 108.479 151.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -69.55 -22.89 63.51 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.524 1.13 . . . . 0.0 112.185 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 m -149.61 -171.51 3.91 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.28 176.45 25.78 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 107.697 -2.161 . . . . 0.0 107.697 -169.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.89 172.96 1.6 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.174 0.589 . . . . 0.0 111.014 -177.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.4 m -79.66 83.2 5.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 126.425 1.89 . . . . 0.0 107.378 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -73.2 158.78 34.57 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.616 -0.678 . . . . 0.0 109.206 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.0 mt -21.46 -44.36 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 130.237 3.415 . . . . 0.0 116.288 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.54 33.17 0.5 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.937 0.79 . . . . 0.0 112.438 168.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -166.81 -179.78 4.93 Favored 'General case' 0 C--N 1.339 0.13 0 O-C-N 121.282 -0.886 . . . . 0.0 110.64 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.1 t -107.69 104.28 13.76 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.536 1.134 . . . . 0.0 110.781 -171.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.99 146.86 39.23 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 113.718 -1.583 . . . . 0.0 108.589 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.7 m -140.49 142.92 35.25 Favored 'General case' 0 N--CA 1.422 -1.843 0 O-C-N 125.763 1.914 . . . . 0.0 106.963 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -115.82 119.61 36.57 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 127.321 2.248 . . . . 0.0 108.928 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.67 -6.94 49.29 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 117.383 -1.787 . . . . 0.0 114.716 171.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.576 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -11.35 87.04 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.345 3.058 . . . . 0.0 112.446 170.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.452 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -19.79 -84.41 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 129.294 3.038 . . . . 0.0 112.149 174.442 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.452 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 28.2 t70 -77.83 153.47 32.72 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 141.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.55 -38.21 71.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.899 2.48 . . . . 0.0 112.835 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 55.6 53.51 9.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 127.026 2.13 . . . . 0.0 110.457 -167.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 38.86 64.51 0.77 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 126.948 2.099 . . . . 0.0 111.456 172.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 m -56.64 144.04 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-O 122.073 0.939 . . . . 0.0 111.691 -169.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.96 168.0 8.84 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 123.71 1.719 . . . . 0.0 111.952 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -80.21 71.28 6.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 112.458 -2.156 . . . . 0.0 107.421 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.443 HG23 ' CD2' ' A' ' 5' ' ' TYR . 38.5 pt -66.52 135.41 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -172.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -77.94 149.89 34.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.34 -60.63 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.257 1.027 . . . . 0.0 110.446 -171.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.52 -43.3 55.88 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.054 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -68.99 -36.55 77.98 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 118.234 -0.888 . . . . 0.0 112.315 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -60.24 -51.0 71.42 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t -53.47 -53.45 51.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.367 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -54.43 -42.67 70.8 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.532 0.733 . . . . 0.0 111.328 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.7 m -110.75 35.34 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.197 1.399 . . . . 0.0 112.735 -169.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -136.29 -51.88 0.71 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.499 1.499 . . . . 0.0 110.973 173.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.9 t -55.59 -29.96 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.244 1.017 . . . . 0.0 111.683 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -27.69 -71.08 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 129.53 3.132 . . . . 0.0 113.074 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.6 mt -87.49 -39.62 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 123.721 0.808 . . . . 0.0 108.929 -175.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 170.381 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.174 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.519 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 47.4 p-10 -121.76 145.0 48.47 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 119.745 1.157 . . . . 0.0 108.533 164.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.69 167.9 38.57 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -158.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -78.86 100.3 7.13 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.472 0.709 . . . . 0.0 109.389 171.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.9 134.25 45.92 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.461 -175.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.2 m -138.06 159.2 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 163.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.6 -160.38 0.79 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 124.656 1.223 . . . . 0.0 111.383 -177.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -69.72 43.08 0.05 Allowed 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.067 -1.424 . . . . 0.0 111.4 160.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -142.64 -57.58 0.44 Allowed 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.009 -1.057 . . . . 0.0 110.384 166.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.83 34.49 53.04 Favored Glycine 0 C--N 1.334 0.432 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 165.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 18.9 tttp -86.13 149.11 25.35 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 138.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.6 m -61.93 131.36 27.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-O 121.019 0.438 . . . . 0.0 110.958 168.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.2 m -78.15 68.03 4.09 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.711 1.205 . . . . 0.0 108.383 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 3.8 tt0 -46.97 -75.46 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.018 2.527 . . . . 0.0 112.889 -157.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 60.77 166.42 0.08 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.935 1.694 . . . . 0.0 115.062 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.08 -43.33 3.1 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.575 1.55 . . . . 0.0 110.945 166.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.22 80.34 4.64 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.813 -1.18 . . . . 0.0 111.229 -174.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -19.91 -47.93 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.328 3.051 . . . . 0.0 116.357 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -43.36 -46.84 6.67 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.078 0.951 . . . . 0.0 111.964 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -47.43 -55.06 9.73 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.116 0.966 . . . . 0.0 110.488 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -56.14 -52.69 63.44 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -176.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -54.75 -57.24 12.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.153 0.581 . . . . 0.0 109.648 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -48.93 -56.88 7.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.996 1.318 . . . . 0.0 112.348 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.55 -44.63 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.677 0.791 . . . . 0.0 109.618 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -41.54 75.14 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.693 -169.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 t -64.98 -40.62 95.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.607 170.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -58.77 -45.53 89.58 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.587 -0.695 . . . . 0.0 111.444 -175.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.9 t -103.59 -54.42 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 124.605 1.162 . . . . 0.0 110.764 -172.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -89.92 -20.01 23.86 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.449 1.1 . . . . 0.0 111.829 -167.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.318 96.5 m-85 67.76 30.6 6.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.691 1.996 . . . . 0.0 112.285 -174.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.21 133.22 35.99 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 168.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 t -73.23 -30.8 63.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.999 0.92 . . . . 0.0 111.107 -173.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 t -144.11 -163.45 1.68 Allowed 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.015 -0.428 . . . . 0.0 109.868 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.5 -172.18 29.54 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 107.751 -2.14 . . . . 0.0 107.751 -165.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 173.59 165.87 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.518 1.127 . . . . 0.0 108.838 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.6 m -88.67 83.03 6.75 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.2 t -59.2 160.86 5.92 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.692 1.597 . . . . 0.0 109.245 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -7.0 -58.46 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.698 3.199 . . . . 0.0 115.839 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.62 44.1 0.59 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.66 167.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -160.29 169.35 23.36 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 120.93 -1.106 . . . . 0.0 110.01 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.03 105.9 14.42 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.687 0.756 . . . . 0.0 109.989 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.67 154.86 24.67 Favored 'General case' 0 CA--C 1.498 -1.023 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.317 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 92.9 m -142.25 159.94 41.23 Favored 'General case' 0 N--CA 1.419 -1.988 0 C-N-CA 124.862 1.265 . . . . 0.0 108.454 172.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -127.34 106.8 9.46 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 126.307 1.843 . . . . 0.0 109.232 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.81 43.66 1.29 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.498 1.999 . . . . 0.0 111.78 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.544 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 3.5 mp -73.38 72.25 1.31 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 118.941 1.37 . . . . 0.0 109.248 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.03 -50.83 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.083 0.944 . . . . 0.0 109.316 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -45.78 -64.32 0.76 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.326 2.65 . . . . 0.0 113.229 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.3 t0 20.21 78.38 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 127.944 2.497 . . . . 0.0 113.431 -175.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -57.32 -50.02 74.27 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 111.698 -2.501 . . . . 0.0 109.675 172.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -176.67 65.26 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.105 0.962 . . . . 0.0 110.593 -172.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.4 m -52.3 145.74 2.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.567 0.698 . . . . 0.0 111.848 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.7 162.88 25.15 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 123.823 1.773 . . . . 0.0 110.779 175.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -96.78 83.73 3.48 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 111.538 -2.574 . . . . 0.0 105.397 -164.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.28 143.21 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.815 -174.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.09 136.09 35.89 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 170.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -71.72 -49.39 39.74 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.592 -158.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.57 14.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.756 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.2 p -73.25 -25.35 60.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 117.174 -1.393 . . . . 0.0 112.328 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -50.36 73.85 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 121.139 1.791 . . . . 0.0 107.902 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 t -53.72 -53.32 53.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.202 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -55.1 -46.15 75.52 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.748 0.308 . . . . 0.0 111.36 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 89.7 m -107.17 39.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.183 1.393 . . . . 0.0 112.661 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -128.84 -61.96 1.03 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.829 1.195 . . . . 0.0 111.911 171.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.1 t -56.49 -27.04 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.257 1.023 . . . . 0.0 111.864 -175.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -18.3 -63.69 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 130.249 3.42 . . . . 0.0 114.47 175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.75 -29.52 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 122.719 0.407 . . . . 0.0 111.463 -170.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.59 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -46.5 140.92 3.96 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 122.047 0.927 . . . . 0.0 112.628 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.84 168.09 40.21 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -165.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -81.4 116.66 21.33 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.82 142.23 44.22 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 175.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.0 m -145.67 170.07 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 125.054 1.342 . . . . 0.0 107.899 173.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -35.5 -75.04 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.065 2.146 . . . . 0.0 112.379 168.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t 168.46 -48.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 131.152 3.781 . . . . 0.0 104.985 -164.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 t -73.34 -45.23 56.41 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.108 0.963 . . . . 0.0 109.642 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.77 38.65 0.17 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.202 1.382 . . . . 0.0 113.538 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -75.87 78.05 2.78 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.803 -0.822 . . . . 0.0 108.866 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 m -58.01 141.35 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 122.661 0.384 . . . . 0.0 110.95 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.6 m -100.57 136.54 40.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 166.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -126.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 162.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 102.36 159.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 130.008 3.323 . . . . 0.0 112.696 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.7 -42.69 5.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.944 1.298 . . . . 0.0 110.688 169.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.23 76.11 3.03 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.006 -1.059 . . . . 0.0 111.032 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -33.2 -39.28 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 127.872 2.469 . . . . 0.0 114.281 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -39.26 -49.89 1.94 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.755 1.622 . . . . 0.0 112.139 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.58 -53.62 44.15 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.733 0.813 . . . . 0.0 109.854 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.7 t -57.65 -53.77 54.47 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -49.89 -53.85 23.32 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.301 1.44 . . . . 0.0 110.814 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.77 -53.93 50.6 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.967 0.507 . . . . 0.0 112.073 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -58.56 -44.26 88.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.436 0.636 . . . . 0.0 110.052 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.0 m -53.47 -48.44 68.86 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 127.0 2.12 . . . . 0.0 110.272 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.3 p -68.45 -52.88 27.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.037 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -55.82 -53.22 59.34 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.126 1.37 . . . . 0.0 111.651 -164.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.1 t -89.69 -45.55 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.178 0 C-N-CA 124.455 1.102 . . . . 0.0 109.688 -170.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -103.52 -18.43 14.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -165.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.282 8.0 m-85 77.92 20.1 1.04 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.555 1.542 . . . . 0.0 114.21 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 165.76 0.65 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 162.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -99.06 -25.5 14.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.931 1.292 . . . . 0.0 110.874 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 p -157.35 -170.17 3.15 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.322 -0.861 . . . . 0.0 109.562 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.75 167.95 19.45 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 107.228 -2.349 . . . . 0.0 107.228 -171.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -173.54 162.27 4.17 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.091 0.956 . . . . 0.0 109.041 -172.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -88.81 91.83 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.6 m -73.47 179.41 4.05 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -12.02 -60.2 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 130.521 3.529 . . . . 0.0 114.25 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.69 41.41 0.53 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.151 0.58 . . . . 0.0 109.859 168.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -169.64 138.41 1.88 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.56 -0.712 . . . . 0.0 110.563 -162.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 115.86 28.28 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.333 1.053 . . . . 0.0 111.455 -169.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.89 153.97 27.31 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.932 0.893 . . . . 0.0 109.088 172.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.403 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . 57.8 m -134.1 158.05 44.59 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 163.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -118.55 104.44 10.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.124 1.77 . . . . 0.0 108.989 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.59 9.23 72.42 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.764 -0.464 . . . . 0.0 113.457 174.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -42.21 161.4 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.817 0.818 . . . . 0.0 112.241 154.594 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -56.29 161.9 2.31 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 123.66 1.695 . . . . 0.0 109.519 156.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -98.15 -39.0 9.1 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 129.648 3.179 . . . . 0.0 108.895 178.262 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -49.1 -30.81 6.99 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.81 2.044 . . . . 0.0 112.745 -176.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -85.68 57.04 4.24 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 30.52 59.7 0.22 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 128.455 2.702 . . . . 0.0 113.22 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.8 m -62.2 131.96 27.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.222 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.19 166.41 23.5 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.373 1.558 . . . . 0.0 111.708 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -92.28 103.75 16.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 112.032 -2.349 . . . . 0.0 106.627 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.4 pt -79.6 150.26 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -174.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.63 156.77 24.96 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 108.066 -1.086 . . . . 0.0 108.066 -173.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -57.23 -63.38 1.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.808 0.843 . . . . 0.0 110.26 -177.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.16 -40.74 24.8 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.768 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.8 p -72.69 -35.85 67.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 118.162 -0.923 . . . . 0.0 112.469 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -56.47 -53.86 52.48 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 120.575 1.534 . . . . 0.0 109.767 167.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -58.35 -40.85 83.32 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.571 -0.705 . . . . 0.0 112.327 -176.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.27 -51.47 68.04 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.584 0.707 . . . . 0.0 110.113 167.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.72 34.23 5.25 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.346 1.059 . . . . 0.0 113.392 -154.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -123.72 -59.96 1.49 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.73 1.212 . . . . 0.0 109.54 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -49.35 -33.56 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 126.032 1.733 . . . . 0.0 112.094 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -18.25 -69.31 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 129.556 3.142 . . . . 0.0 112.798 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.1 mt -101.78 -38.8 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 125.536 1.535 . . . . 0.0 108.54 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 171.734 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? . . . . . 0 C--O 1.227 -0.097 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.437 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 24.7 p-10 -114.75 150.12 35.85 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 126.659 1.984 . . . . 0.0 106.422 147.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 166.47 36.89 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -163.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -74.92 108.27 7.54 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 165.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.57 144.37 27.94 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.81 160.21 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -90.84 -149.5 0.22 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 168.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -74.45 -4.01 34.11 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.335 1.054 . . . . 0.0 111.545 168.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 p -80.02 -58.78 2.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.384 1.474 . . . . 0.0 109.87 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.05 36.92 69.14 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 125.609 1.576 . . . . 0.0 112.792 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -108.46 107.53 18.11 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 159.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.75 136.64 25.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.07 0.462 . . . . 0.0 110.93 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.6 m -72.99 84.43 1.26 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 171.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -42.78 -71.7 0.08 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.551 1.54 . . . . 0.0 110.882 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.32 145.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.184 2.193 . . . . 0.0 116.351 168.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 pp -97.02 -42.38 7.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.552 1.141 . . . . 0.0 111.742 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.09 70.56 9.04 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 120.862 -1.149 . . . . 0.0 111.19 -171.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -10.96 -61.6 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.78 2.832 . . . . 0.0 116.456 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -43.12 -41.02 3.47 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.658 1.583 . . . . 0.0 112.715 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -39.23 -53.92 1.85 Allowed 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.096 0.958 . . . . 0.0 111.196 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 m -66.81 -52.56 42.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -169.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -43.32 -57.15 3.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.221 1.008 . . . . 0.0 111.678 170.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -54.98 -56.21 22.21 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 124.891 1.276 . . . . 0.0 111.365 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 mm -53.29 -45.46 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.791 0.837 . . . . 0.0 109.282 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -42.03 86.62 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -170.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 t -71.55 -30.34 65.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.937 -0.554 . . . . 0.0 111.026 171.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.43 -49.12 65.09 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.044 0.838 . . . . 0.0 110.671 -175.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.67 -55.24 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 C-N-CA 125.312 1.445 . . . . 0.0 110.404 -168.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -95.0 -19.96 19.75 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.109 0.963 . . . . 0.0 112.44 -169.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.263 39.2 m-85 74.28 33.88 0.86 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.048 1.739 . . . . 0.0 112.797 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.36 132.97 43.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 164.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -69.45 -25.58 64.17 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.349 1.06 . . . . 0.0 111.243 -177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -148.58 -162.17 1.5 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.515 -0.741 . . . . 0.0 110.692 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.58 -178.85 21.44 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 125.942 1.734 . . . . 0.0 109.143 -167.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 172.97 172.31 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 124.833 1.253 . . . . 0.0 108.294 178.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.7 m -81.34 89.7 6.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.05 167.34 12.06 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.592 1.157 . . . . 0.0 108.094 174.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -14.64 -58.32 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 128.7 2.8 . . . . 0.0 115.465 -172.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -150.78 38.54 0.68 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.724 0.81 . . . . 0.0 110.036 174.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.48 172.05 16.11 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.653 -1.279 . . . . 0.0 111.366 -176.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.59 105.35 15.18 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.936 0.874 . . . . 0.0 112.914 -170.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -90.74 154.49 19.5 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.265 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 81.6 m -141.36 161.66 37.36 Favored 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 125.911 1.684 . . . . 0.0 108.406 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -132.74 122.61 24.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.893 2.077 . . . . 0.0 107.095 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.39 36.92 4.72 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.666 1.603 . . . . 0.0 111.877 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.586 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 2.1 mp -70.04 67.55 0.29 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.614 1.566 . . . . 0.0 108.127 175.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.08 -53.44 45.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.367 0.603 . . . . 0.0 109.374 -165.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.84 145.61 50.18 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.239 152.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.04 97.16 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.158 1.783 . . . . 0.0 108.812 -167.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -61.03 -68.02 0.35 Allowed 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 126.792 2.037 . . . . 0.0 109.769 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 176.56 65.25 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.919 1.688 . . . . 0.0 106.649 -170.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 m -63.1 144.69 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.904 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.5 165.42 25.14 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.224 1.488 . . . . 0.0 111.426 -173.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -91.06 86.15 6.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.287 -2.233 . . . . 0.0 108.275 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.7 pt -74.27 154.14 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -174.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -75.82 154.25 36.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -35.63 81.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 122.64 1.21 . . . . 0.0 109.949 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.48 41.2 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.401 -1.272 . . . . 0.0 111.503 168.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -45.53 94.27 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.382 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -47.05 -59.17 3.31 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 119.5 1.045 . . . . 0.0 109.877 174.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -56.4 -52.01 66.2 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.985 0.421 . . . . 0.0 110.954 -177.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -54.12 -40.95 67.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.204 1.002 . . . . 0.0 111.639 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.4 m -117.2 27.89 8.83 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 124.792 1.237 . . . . 0.0 112.14 -164.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -104.01 -67.28 0.9 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 119.918 1.236 . . . . 0.0 110.413 168.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.7 -22.62 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.403 1.081 . . . . 0.0 113.018 -169.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -30.31 -62.82 0.15 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 128.6 2.76 . . . . 0.0 114.185 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.5 mm -64.14 -31.89 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 122.965 0.506 . . . . 0.0 110.996 -174.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mm . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.594 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -52.63 127.26 22.38 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 122.017 0.913 . . . . 0.0 112.274 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.5 175.23 45.43 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.607 -148.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -79.25 93.55 5.28 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.578 1.151 . . . . 0.0 109.726 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.66 142.74 38.66 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.397 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 m -137.3 136.61 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 18.44 -79.94 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.316 2.646 . . . . 0.0 114.056 141.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t 173.81 -41.16 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 131.293 3.837 . . . . 0.0 105.895 -167.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.1 p -109.87 -55.93 2.38 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.659 1.184 . . . . 0.0 110.605 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.68 62.65 0.07 OUTLIER Glycine 0 C--N 1.338 0.682 0 C-N-CA 125.216 1.389 . . . . 0.0 112.785 -174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 66.32 1.59 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 160.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 m -65.72 141.68 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 122.709 0.404 . . . . 0.0 111.409 -172.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.5 m -98.23 133.3 42.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 168.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -120.11 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 162.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 106.17 147.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 130.604 3.562 . . . . 0.0 112.696 173.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -88.94 -40.64 12.91 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.098 0.959 . . . . 0.0 111.619 172.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 66.94 6.21 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.096 -1.003 . . . . 0.0 110.934 -175.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -17.08 -58.21 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 128.827 2.851 . . . . 0.0 115.746 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -33.87 -48.85 0.31 Allowed 'General case' 0 C--O 1.232 0.163 0 C-N-CA 126.994 2.118 . . . . 0.0 112.671 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -40.14 -51.93 2.6 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.771 1.228 . . . . 0.0 111.504 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.83 -44.53 73.28 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -169.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -49.97 65.63 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 171.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.41 -56.75 17.32 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 124.178 0.991 . . . . 0.0 110.461 -174.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 mm -55.59 -46.17 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 123.85 0.86 . . . . 0.0 109.303 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -38.44 91.0 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -171.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.2 t -73.39 -32.09 64.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 119.731 -0.787 . . . . 0.0 111.501 171.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -71.44 -41.42 69.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.248 0.931 . . . . 0.0 111.554 -172.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -108.13 -58.21 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 C-N-CA 126.216 1.807 . . . . 0.0 109.349 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -82.89 -28.47 29.97 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.828 0.851 . . . . 0.0 111.493 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.304 57.6 m-85 69.07 46.34 0.83 Allowed 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 127.182 2.193 . . . . 0.0 112.6 -173.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.9 136.96 34.59 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 162.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -79.15 -5.82 55.09 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -162.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -164.05 -173.59 3.24 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 127.056 2.142 . . . . 0.0 105.689 175.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.36 -178.44 31.17 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 107.259 -2.336 . . . . 0.0 107.259 -171.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 175.48 164.91 0.32 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.497 1.119 . . . . 0.0 108.955 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.0 m -77.06 87.91 3.56 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.0 t -69.69 159.76 32.88 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -6.41 -56.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 130.197 3.399 . . . . 0.0 115.507 175.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.45 38.57 0.55 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 173.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 t -169.77 -174.53 1.87 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 121.467 -0.771 . . . . 0.0 110.778 174.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -107.97 97.98 7.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 123.079 1.418 . . . . 0.0 111.541 -170.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.37 148.2 43.63 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 112.942 -1.935 . . . . 0.0 108.903 175.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.8 m -142.99 164.1 30.98 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 127.243 2.217 . . . . 0.0 106.17 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -127.09 124.31 38.91 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 124.999 1.32 . . . . 0.0 112.579 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.65 43.87 11.37 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.577 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 2.9 mp -61.11 138.02 58.22 Favored 'General case' 0 N--CA 1.428 -1.556 0 C-N-CA 127.769 2.427 . . . . 0.0 109.998 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -61.57 172.47 1.2 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.936 160.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -72.31 -53.87 11.14 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.81 -1.541 . . . . 0.0 108.439 -178.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -36.0 -34.82 0.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.389 2.676 . . . . 0.0 114.01 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -78.38 -2.41 38.16 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.069 -1.02 . . . . 0.0 111.309 -171.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 53.22 60.68 3.59 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 125.981 1.713 . . . . 0.0 111.558 164.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.22 125.45 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.426 -168.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.77 168.03 8.45 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 123.205 1.479 . . . . 0.0 112.117 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -87.02 129.54 34.85 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 112.424 -2.171 . . . . 0.0 107.976 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 pt -131.32 141.92 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 123.064 0.546 . . . . 0.0 112.035 -166.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 143.65 49.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.265 1.026 . . . . 0.0 108.924 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.38 -53.0 62.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.096 0.951 . . . . 0.0 110.383 -173.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.63 -36.43 15.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.971 173.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -40.05 85.66 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 117.435 -1.269 . . . . 0.0 109.075 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 pttm -56.68 -53.73 54.37 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 120.592 1.542 . . . . 0.0 109.512 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -53.49 -57.93 8.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.042 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -52.22 -37.94 56.54 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.923 0.889 . . . . 0.0 111.91 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.3 m -113.87 35.33 4.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.351 1.46 . . . . 0.0 112.161 -172.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.47 -55.87 0.96 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.396 0.998 . . . . 0.0 110.555 170.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.0 t -52.19 -31.81 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.04 1.336 . . . . 0.0 111.209 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -19.53 -66.42 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 128.355 2.662 . . . . 0.0 112.66 165.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -107.22 -33.65 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 C-N-CA 125.038 1.335 . . . . 0.0 108.753 -177.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.528 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 46.6 p-10 -126.34 145.24 50.52 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 124.777 1.231 . . . . 0.0 108.588 163.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.94 172.55 42.51 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -156.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -84.24 108.01 16.87 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.522 0.729 . . . . 0.0 110.192 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.31 137.87 33.21 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.3 152.14 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.612 0.765 . . . . 0.0 109.416 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -10.51 -75.86 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.795 2.838 . . . . 0.0 113.716 162.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t 172.58 -47.51 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 130.449 3.5 . . . . 0.0 105.109 -164.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p -86.07 -53.16 5.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.138 0.575 . . . . 0.0 109.978 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.88 34.62 0.05 OUTLIER Glycine 0 CA--C 1.533 1.169 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -76.19 87.73 3.05 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.223 1.512 . . . . 0.0 108.558 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.16 125.98 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.514 0.674 . . . . 0.0 110.728 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.6 m -82.24 62.35 5.91 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.788 0.835 . . . . 0.0 110.917 -174.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 179.72 0.96 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.143 0.429 . . . . 0.0 111.799 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 p 163.63 173.11 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 128.017 2.527 . . . . 0.0 111.129 -173.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -48.38 7.11 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.567 0.747 . . . . 0.0 111.185 162.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.95 73.55 3.54 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.995 -1.065 . . . . 0.0 111.601 -173.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -16.98 -52.72 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.895 2.878 . . . . 0.0 116.578 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -43.52 -39.67 3.52 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.945 1.298 . . . . 0.0 112.781 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.86 -52.9 17.41 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.418 0.687 . . . . 0.0 111.124 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -53.09 62.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -177.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -46.71 -57.23 5.04 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 124.71 1.204 . . . . 0.0 111.038 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -52.32 -56.41 15.03 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.326 1.45 . . . . 0.0 112.024 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.0 mm -55.49 -40.98 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -71.66 -42.78 67.09 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -168.145 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 t -59.97 -45.53 92.39 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 166.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -57.42 -41.85 81.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 117.972 0.351 . . . . 0.0 111.93 -172.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -104.22 -48.82 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 C-N-CA 124.461 1.105 . . . . 0.0 111.394 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -108.01 2.1 22.95 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.663 1.185 . . . . 0.0 112.263 -169.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 73.34 7.22 5.2 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.664 1.186 . . . . 0.0 112.91 176.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.05 127.91 34.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 119.035 0.834 . . . . 0.0 111.457 -174.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -77.23 -22.63 51.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.18 0.992 . . . . 0.0 112.032 -173.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -139.72 -177.31 4.9 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.57 171.88 14.76 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 107.965 -2.054 . . . . 0.0 107.965 -171.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -177.34 164.4 2.13 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.9 m -77.19 93.81 4.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.2 t -70.3 165.54 22.09 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.267 1.427 . . . . 0.0 109.265 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -11.04 -55.9 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 129.689 3.195 . . . . 0.0 115.481 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -152.76 38.55 0.53 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.667 0.787 . . . . 0.0 109.878 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.26 -169.49 1.82 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.906 -1.121 . . . . 0.0 111.593 -175.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.9 t -127.05 105.2 8.43 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.634 0.774 . . . . 0.0 112.812 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -82.66 153.59 25.32 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.612 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.5 m -147.05 154.13 40.82 Favored 'General case' 0 N--CA 1.42 -1.958 0 C-N-CA 125.849 1.66 . . . . 0.0 107.696 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -129.18 123.39 31.94 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.223 1.809 . . . . 0.0 109.157 176.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.42 41.82 8.22 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.199 1.38 . . . . 0.0 111.013 -177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.551 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 3.5 mp -60.64 -179.38 0.12 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 118.199 0.999 . . . . 0.0 109.834 175.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -69.77 176.44 3.62 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 166.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -31.37 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 128.016 2.527 . . . . 0.0 110.895 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -165.26 116.42 1.12 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 145.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -57.63 -60.96 2.88 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 124.084 0.953 . . . . 0.0 108.973 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 167.05 56.88 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 128.364 2.665 . . . . 0.0 107.161 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.0 m -62.59 146.32 12.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 121.256 0.551 . . . . 0.0 110.472 -170.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -69.69 166.45 19.13 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 123.086 1.422 . . . . 0.0 109.525 169.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -131.16 133.57 45.7 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 112.419 -2.173 . . . . 0.0 107.257 -156.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 pt -129.63 141.48 46.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -147.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -59.73 158.85 9.57 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.787 1.635 . . . . 0.0 109.018 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.69 -42.73 67.06 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.877 1.671 . . . . 0.0 111.464 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.4 78.72 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.031 -0.418 . . . . 0.0 110.794 171.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -41.7 80.69 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -47.21 -60.44 2.48 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 125.495 1.518 . . . . 0.0 109.131 172.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.7 t -57.13 -52.89 63.47 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.181 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -53.76 -36.56 62.48 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.974 0.91 . . . . 0.0 112.256 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.7 m -121.91 37.83 4.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.531 1.133 . . . . 0.0 111.782 -170.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -128.59 -59.1 1.16 Allowed 'General case' 0 C--O 1.23 0.077 0 CA-C-N 119.237 0.926 . . . . 0.0 111.577 165.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.24 -30.76 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.256 1.022 . . . . 0.0 111.978 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -21.59 -68.54 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 129.926 3.291 . . . . 0.0 113.923 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.5 mm -85.59 -20.27 8.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.036 -171.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.682 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.343 0 CA-C-O 118.732 -0.651 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -59.08 137.87 57.77 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 119.472 1.033 . . . . 0.0 109.704 166.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.1 169.46 40.78 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 -161.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -96.53 101.71 13.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.3 0.64 . . . . 0.0 109.328 -171.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.12 137.62 37.56 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 119.51 -0.281 . . . . 0.0 110.417 -169.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.401 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 29.7 m -104.53 147.21 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.004 0.522 . . . . 0.0 110.809 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 4.4 -78.82 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 128.152 2.581 . . . . 0.0 114.184 153.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t 175.81 -47.2 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 130.433 3.493 . . . . 0.0 104.742 -165.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -96.29 -54.6 3.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.65 1.18 . . . . 0.0 109.649 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 153.64 70.31 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 112.244 -0.342 . . . . 0.0 112.244 -165.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -140.71 148.03 40.12 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 103.897 -2.631 . . . . 0.0 103.897 168.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -131.53 151.41 35.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 CA-C-N 119.109 0.868 . . . . 0.0 109.273 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -79.68 119.89 23.24 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.12 -67.94 0.39 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 172.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p 57.94 175.07 0.06 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.838 2.455 . . . . 0.0 116.46 162.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.76 -47.54 1.53 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.823 1.649 . . . . 0.0 110.821 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.37 117.89 9.97 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.527 -0.733 . . . . 0.0 112.066 -172.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -64.56 -51.41 62.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.523 0.729 . . . . 0.0 111.066 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -52.08 -47.79 65.01 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.819 0.847 . . . . 0.0 110.692 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -48.32 -60.77 2.41 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.211 0.604 . . . . 0.0 110.188 175.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -47.37 86.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -173.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -49.51 -57.55 6.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.594 0.757 . . . . 0.0 112.074 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -52.81 -52.76 55.66 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.267 1.427 . . . . 0.0 111.45 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.2 mm -56.57 -43.97 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.262 0.5 OUTLIER -65.89 -41.91 90.92 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -172.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -66.78 -38.93 87.52 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.052 171.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -57.56 7.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 120.811 -1.181 . . . . 0.0 110.585 -174.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -88.36 -58.58 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 C-N-CA 125.28 1.432 . . . . 0.0 109.039 -167.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -87.4 -20.11 27.15 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.221 1.008 . . . . 0.0 112.368 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.287 92.8 m-85 64.04 49.43 2.74 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 126.143 1.777 . . . . 0.0 111.812 -176.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.62 152.75 22.32 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.617 1.167 . . . . 0.0 109.108 164.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 78.8 p -74.24 -30.4 62.13 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.347 -0.845 . . . . 0.0 110.914 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.0 -165.29 1.8 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.881 -0.58 . . . . 0.0 111.08 175.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.6 171.24 22.57 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 126.721 2.105 . . . . 0.0 108.427 -170.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -174.75 178.98 1.77 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 126.282 1.833 . . . . 0.0 107.127 173.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.8 m -76.93 91.22 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.041 0.937 . . . . 0.0 109.025 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.01 165.73 3.98 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.691 0.797 . . . . 0.0 110.004 168.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -22.61 -51.24 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.183 2.593 . . . . 0.0 114.56 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.45 44.83 0.71 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 168.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -162.84 172.45 15.15 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.084 -1.01 . . . . 0.0 110.525 -176.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.7 t -98.55 102.61 14.4 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 122.389 1.09 . . . . 0.0 110.249 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.87 154.87 40.97 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.205 171.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.5 m -137.3 165.85 25.2 Favored 'General case' 0 N--CA 1.41 -2.426 0 O-C-N 125.105 1.503 . . . . 0.0 107.662 168.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -131.57 137.14 48.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.66 1.984 . . . . 0.0 107.426 174.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.88 43.08 75.84 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.787 0.708 . . . . 0.0 113.887 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.55 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -68.38 73.19 0.22 Allowed 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 128.495 2.718 . . . . 0.0 108.665 176.609 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -47.8 -67.2 0.3 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.489 0.661 . . . . 0.0 110.695 -172.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -71.95 149.37 45.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.578 158.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -138.73 105.8 5.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.897 2.079 . . . . 0.0 107.323 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -52.31 57.92 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 127.241 2.216 . . . . 0.0 108.553 -177.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 167.89 70.07 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 127.962 2.505 . . . . 0.0 107.91 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.61 155.03 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.174 176.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.35 170.63 1.69 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 123.068 1.413 . . . . 0.0 111.119 169.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -117.26 118.37 32.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 127.109 2.164 . . . . 0.0 105.754 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.7 pt -121.46 143.75 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 122.552 0.341 . . . . 0.0 111.248 -155.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.75 146.41 49.45 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.301 0.64 . . . . 0.0 110.304 -178.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.71 -51.74 68.29 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 122.231 1.015 . . . . 0.0 109.822 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.36 -36.54 43.56 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.853 -1.067 . . . . 0.0 112.528 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -41.95 64.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.792 0.724 . . . . 0.0 109.705 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -59.57 4.15 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.2 t -51.85 -52.96 45.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.699 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -50.64 -47.37 58.54 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.813 0.845 . . . . 0.0 110.913 175.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.0 m -84.57 -32.91 23.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 -166.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.71 -54.86 10.19 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.946 0.879 . . . . 0.0 110.058 -166.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.8 t -48.85 -37.17 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 126.102 1.761 . . . . 0.0 112.327 -177.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -36.62 -55.48 0.86 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 127.659 2.384 . . . . 0.0 112.462 -177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.7 mt -102.92 -41.72 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.339 0.117 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 175.727 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.28 -158.89 0.92 Allowed 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -134.3 143.73 47.9 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.781 1.633 . . . . 0.0 108.206 168.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 169.25 41.28 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 111.519 -0.633 . . . . 0.0 111.519 -167.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -85.83 114.52 22.83 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 122.601 0.36 . . . . 0.0 110.374 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.02 112.6 20.34 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.227 0.611 . . . . 0.0 111.613 -169.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.449 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 35.4 m -115.71 137.75 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.629 1.572 . . . . 0.0 108.343 172.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -74.32 -60.19 2.38 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.34 0.656 . . . . 0.0 111.613 -158.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -141.99 -12.35 0.85 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -163.87 52.22 0.15 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.479 1.036 . . . . 0.0 109.644 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.449 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 77.41 -0.97 67.22 Favored Glycine 0 CA--C 1.527 0.803 0 O-C-N 121.664 -0.647 . . . . 0.0 114.053 168.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -73.28 115.66 12.89 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 166.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -55.57 155.23 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.506 0 C-N-CA 123.241 0.616 . . . . 0.0 111.051 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.9 t -70.2 52.18 0.13 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.394 1.078 . . . . 0.0 110.743 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 46.71 -120.65 1.07 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.296 1.838 . . . . 0.0 111.241 173.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.33 1.3 p 111.96 66.54 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 129.503 3.121 . . . . 0.0 111.787 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.07 -34.09 71.56 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 120.751 -1.218 . . . . 0.0 109.279 163.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -152.82 153.21 32.65 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.394 0.678 . . . . 0.0 110.333 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -56.9 -48.71 77.56 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.181 0.992 . . . . 0.0 111.775 -171.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -54.01 -39.64 66.27 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 119.533 -0.27 . . . . 0.0 110.882 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -63.84 -52.59 59.42 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.319 0.648 . . . . 0.0 109.491 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -47.58 -54.41 11.85 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.302 0.572 . . . . 0.0 109.558 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -54.51 36.69 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.022 0.929 . . . . 0.0 110.215 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -53.15 -57.46 10.39 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.126 0.971 . . . . 0.0 112.117 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.3 mm -52.41 -45.14 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 124.962 1.305 . . . . 0.0 109.22 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -37.92 83.88 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -175.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.4 p -63.54 -39.45 94.45 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.268 170.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -67.28 -41.31 85.69 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.868 0.867 . . . . 0.0 112.313 -172.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.98 -36.53 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 C-N-CA 124.725 1.21 . . . . 0.0 111.63 -164.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -104.28 -24.64 13.09 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.092 1.357 . . . . 0.0 111.145 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.306 26.6 m-85 74.34 31.43 1.06 Allowed 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.279 1.832 . . . . 0.0 112.533 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.41 160.53 0.16 Allowed 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.044 0.938 . . . . 0.0 113.259 155.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -87.99 -39.82 14.38 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.854 0.862 . . . . 0.0 108.985 157.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 t -155.27 -160.8 1.09 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-N 119.265 0.939 . . . . 0.0 112.416 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.95 171.28 22.86 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 108.518 -1.833 . . . . 0.0 108.518 -166.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -178.13 174.45 1.35 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.691 0.796 . . . . 0.0 109.028 -173.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 92.5 m -69.41 92.62 0.61 Allowed 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 169.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.63 163.0 28.21 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 162.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -16.21 -54.74 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 129.12 2.968 . . . . 0.0 115.544 -170.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.14 24.6 1.79 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 m -161.83 162.1 29.26 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.022 -1.049 . . . . 0.0 111.048 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 109.79 1.01 Allowed 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 162.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.11 155.87 36.62 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 156.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -140.43 147.17 39.26 Favored 'General case' 0 N--CA 1.414 -2.273 0 O-C-N 124.563 1.164 . . . . 0.0 109.024 162.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -116.17 106.12 13.35 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 128.813 2.845 . . . . 0.0 105.059 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.27 -10.15 9.38 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.958 1.742 . . . . 0.0 114.705 168.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.49 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -28.86 108.07 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.546 1.938 . . . . 0.0 109.559 173.645 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.93 -59.25 2.28 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.57 1.948 . . . . 0.0 106.925 -170.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -71.32 157.72 37.6 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.988 157.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -143.42 97.23 3.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 123.739 1.733 . . . . 0.0 107.148 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -56.9 -51.59 68.49 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.358 -2.201 . . . . 0.0 109.249 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 168.45 56.05 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 128.421 2.689 . . . . 0.0 107.357 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.1 m -62.72 140.08 20.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.257 -168.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.62 167.7 20.2 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 123.309 1.528 . . . . 0.0 112.148 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -93.03 105.34 17.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 112.093 -2.321 . . . . 0.0 109.09 -172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.18 137.7 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 122.909 0.484 . . . . 0.0 109.934 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.48 151.07 42.73 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 174.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.45 -57.66 11.35 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.897 0.771 . . . . 0.0 109.214 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.58 30.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.272 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -40.81 63.96 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.897 0.772 . . . . 0.0 110.001 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -58.93 5.9 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 175.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.4 m -51.97 -54.73 26.23 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 125.557 1.543 . . . . 0.0 109.716 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -48.17 -49.38 32.85 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 124.102 0.961 . . . . 0.0 110.859 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.1 m -94.69 20.34 8.74 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.14 0.976 . . . . 0.0 113.113 -172.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.76 -69.28 0.76 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 119.878 1.217 . . . . 0.0 109.133 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.2 t -48.73 -37.47 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 126.355 1.862 . . . . 0.0 111.621 -168.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -24.63 -61.1 0.06 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 128.162 2.585 . . . . 0.0 112.631 166.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.8 mt -116.77 -43.47 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 125.803 1.641 . . . . 0.0 109.664 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.3 mt . . . . . 0 C--N 1.339 0.144 0 C-N-CA 125.028 1.331 . . . . 0.0 108.554 176.78 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 120.714 0.293 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -149.53 0.39 Allowed 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 150.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -49.12 152.71 1.07 Allowed 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.777 -1.202 . . . . 0.0 110.046 158.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.14 -160.46 17.33 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 108.196 -1.962 . . . . 0.0 108.196 169.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -106.03 126.54 52.32 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 166.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.91 138.36 36.14 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 16.6 m -124.15 144.61 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 122.952 0.501 . . . . 0.0 111.067 -173.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -77.76 -117.58 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.568 2.347 . . . . 0.0 110.623 -166.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 t -72.39 63.5 0.56 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.281 1.432 . . . . 0.0 108.663 165.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m 85.47 68.1 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.971 1.308 . . . . 0.0 109.226 154.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.45 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 85.36 -4.8 85.07 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 114.386 -1.279 . . . . 0.0 113.574 172.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -68.12 145.49 54.34 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 163.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 m -143.77 155.71 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.843 1.257 . . . . 0.0 109.291 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.4 m -71.38 108.32 4.76 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 160.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.17 -65.2 0.72 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.999 0.919 . . . . 0.0 109.0 173.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.0 p 56.91 -179.51 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.726 2.41 . . . . 0.0 116.234 160.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.21 -46.53 1.11 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.798 1.639 . . . . 0.0 111.329 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.67 117.59 10.58 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.271 -0.893 . . . . 0.0 112.544 -170.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -61.56 -55.98 24.98 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.262 1.025 . . . . 0.0 111.221 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -53.87 -46.82 71.44 Favored 'General case' 0 N--CA 1.458 -0.056 0 C-N-CA 123.52 0.728 . . . . 0.0 110.944 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -50.04 -56.15 11.92 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.888 0.875 . . . . 0.0 110.475 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -42.77 98.51 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.358 -175.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -42.76 65.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.243 0.617 . . . . 0.0 110.904 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.42 -56.5 21.28 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 121.47 -0.768 . . . . 0.0 110.868 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 mm -59.31 -43.14 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.099 0.476 . . . . 0.0 109.965 -177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.2 m -46.07 -60.36 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.367 1.867 . . . . 0.0 110.403 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 t -72.72 -24.4 60.98 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.683 1.129 . . . . 0.0 113.551 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -79.74 -52.26 8.17 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 119.56 1.073 . . . . 0.0 112.27 -168.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 t -101.48 -51.77 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 126.243 1.817 . . . . 0.0 107.991 -171.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -80.29 -41.16 25.47 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.252 -167.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.326 28.5 m-85 83.62 51.1 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.181 2.192 . . . . 0.0 111.151 -176.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.37 -167.28 1.01 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.461 155.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -112.9 -57.18 2.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.021 1.329 . . . . 0.0 109.488 158.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.78 -162.73 0.83 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.515 1.126 . . . . 0.0 109.988 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.92 178.47 24.88 Favored Glycine 0 C--N 1.342 0.912 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -178.7 170.18 1.61 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.113 1.365 . . . . 0.0 108.721 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 60.3 m -75.84 86.14 2.81 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.2 t -62.87 164.57 7.86 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -7.99 -57.37 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 129.953 3.301 . . . . 0.0 115.204 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.52 39.83 0.57 Allowed 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 170.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -164.56 170.6 15.61 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 120.842 -1.161 . . . . 0.0 112.016 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.58 97.76 11.38 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.867 1.317 . . . . 0.0 112.115 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.42 152.2 44.47 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-N 112.726 -2.034 . . . . 0.0 109.323 164.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.64 ' HB3' ' CD2' ' A' ' 47' ' ' LEU 0.255 5.0 m -148.78 141.94 25.0 Favored 'General case' 0 N--CA 1.418 -2.052 0 O-C-N 125.649 1.843 . . . . 0.0 106.673 -176.394 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -103.51 143.74 32.33 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 119.358 0.981 . . . . 0.0 109.654 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.55 57.5 9.34 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 124.36 0.981 . . . . 0.0 111.879 174.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.64 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 4.2 mt -61.29 126.97 29.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 169.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -96.16 -71.22 0.68 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -62.66 152.81 34.27 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 156.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -139.84 94.61 2.79 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 124.213 1.959 . . . . 0.0 107.079 -169.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -71.84 62.29 0.42 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 112.685 -2.052 . . . . 0.0 108.538 167.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 42.07 70.83 0.25 Allowed 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.98 2.112 . . . . 0.0 111.9 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.484 ' CG1' HD11 ' A' ' 47' ' ' LEU . 15.3 m -52.62 145.61 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.922 0.868 . . . . 0.0 112.955 -170.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.61 166.96 6.2 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 123.542 1.639 . . . . 0.0 111.194 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 116.37 22.5 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 111.78 -2.464 . . . . 0.0 105.187 -175.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 pt -133.35 148.68 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 -153.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 144.01 25.58 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.56 -51.0 71.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 122.313 1.054 . . . . 0.0 109.853 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.67 50.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.359 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -40.93 66.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -60.96 2.58 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 174.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 t -47.41 -60.66 2.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.29 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -46.16 -44.68 16.11 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.288 1.435 . . . . 0.0 111.583 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.1 m -112.18 27.45 9.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 117.444 -1.265 . . . . 0.0 113.586 -169.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -127.91 -44.43 1.47 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.845 1.657 . . . . 0.0 110.101 173.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.11 -27.19 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 124.64 1.176 . . . . 0.0 112.669 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -43.42 -70.35 0.11 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 127.951 2.5 . . . . 0.0 113.766 -167.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.6 mt -93.38 -62.2 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.3 mt . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 124.844 1.258 . . . . 0.0 111.466 -174.543 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm . . . . . 0 CA--C 1.526 0.024 0 CA-C-O 121.723 0.773 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -155.68 0.32 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 172.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -67.32 143.11 56.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 158.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.05 -175.89 43.81 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -172.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -90.31 133.5 34.92 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 119.459 -0.305 . . . . 0.0 110.485 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.65 142.17 28.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.287 0.367 . . . . 0.0 110.285 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -135.31 152.52 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.592 0.757 . . . . 0.0 110.009 168.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.3 -63.64 0.9 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 126.243 1.817 . . . . 0.0 110.986 173.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 t -162.65 -47.01 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 128.251 2.62 . . . . 0.0 108.243 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 t -103.68 -42.48 5.63 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.025 1.33 . . . . 0.0 109.855 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.28 73.79 0.67 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 115.467 0.947 . . . . 0.0 115.467 167.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -72.7 77.71 1.11 Allowed 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 152.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 m -49.5 127.04 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 110.911 -173.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -81.51 53.88 2.21 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.727 0.811 . . . . 0.0 111.227 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -36.46 -84.84 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 128.058 2.543 . . . . 0.0 113.833 -167.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 162.5 0.26 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.052 1.741 . . . . 0.0 113.902 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -106.1 -41.79 5.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.008 1.323 . . . . 0.0 111.84 167.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.92 72.79 3.51 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.852 -1.155 . . . . 0.0 111.784 -176.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -6.77 -64.71 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 129.121 2.969 . . . . 0.0 116.837 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -49.21 -35.2 16.59 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.472 1.109 . . . . 0.0 112.779 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -45.85 -48.87 15.8 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 122.806 0.442 . . . . 0.0 111.384 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.37 -50.38 65.76 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.287 -0.864 . . . . 0.0 109.633 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -44.94 -51.14 10.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.325 1.05 . . . . 0.0 112.279 170.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -55.68 -57.63 11.16 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.626 0.77 . . . . 0.0 111.355 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.11 -37.6 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 123.511 0.724 . . . . 0.0 110.055 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 m -57.2 -51.13 70.57 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 125.553 1.541 . . . . 0.0 109.052 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -42.94 72.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 119.547 -0.861 . . . . 0.0 111.187 176.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -62.61 -52.75 62.13 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.433 -0.792 . . . . 0.0 111.855 -171.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.57 -44.74 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 C-N-CA 126.085 1.754 . . . . 0.0 110.32 -170.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -94.41 -8.63 38.12 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.01 0.924 . . . . 0.0 112.202 -171.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 59.33 33.73 22.59 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.836 0.855 . . . . 0.0 110.696 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.41 148.61 22.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.495 1.518 . . . . 0.0 108.678 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -75.06 -36.71 61.78 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.477 -0.765 . . . . 0.0 111.172 -171.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -145.34 -164.4 1.93 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.579 1.551 . . . . 0.0 107.834 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.25 173.91 23.01 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -174.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.92 169.88 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.688 1.195 . . . . 0.0 108.35 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.0 m -86.75 93.57 9.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -174.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.15 163.95 26.11 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.62 1.568 . . . . 0.0 109.828 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -5.58 -62.37 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 130.548 3.539 . . . . 0.0 114.75 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.29 44.89 0.55 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.801 0.841 . . . . 0.0 109.92 172.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.22 179.79 4.36 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 120.795 -1.191 . . . . 0.0 110.212 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.2 t -114.74 111.0 20.59 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 123.414 0.686 . . . . 0.0 112.209 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.23 144.63 31.45 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.114 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.517 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 1.5 m -134.74 141.31 46.45 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -103.89 137.75 41.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 119.543 1.065 . . . . 0.0 108.598 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.05 63.53 4.19 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.517 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -62.39 75.04 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 117.467 0.634 . . . . 0.0 109.765 169.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.29 -57.14 11.57 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.973 0.892 . . . . 0.0 110.413 -171.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.33 -52.09 6.01 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.952 2.101 . . . . 0.0 110.688 169.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 t0 69.65 88.66 0.11 Allowed 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 129.772 3.229 . . . . 0.0 109.167 -176.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -67.73 -54.66 17.52 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.828 -169.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 175.14 59.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.955 2.102 . . . . 0.0 105.395 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.76 137.29 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.369 -156.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.03 171.91 14.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 124.102 1.905 . . . . 0.0 114.302 -161.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -83.11 63.86 7.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 111.841 -2.436 . . . . 0.0 109.616 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pt -54.72 133.5 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.107 0.48 . . . . 0.0 110.718 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.3 147.5 48.04 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.27 -42.74 99.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 123.037 1.399 . . . . 0.0 110.988 -170.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.53 -41.63 77.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.705 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -42.42 68.83 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 118.815 0.734 . . . . 0.0 109.15 -178.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -49.95 -60.35 3.01 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.314 1.446 . . . . 0.0 108.613 173.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -53.07 -55.18 25.82 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.496 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -50.75 -42.81 57.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.921 0.889 . . . . 0.0 111.501 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.1 m -113.02 39.43 2.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.223 1.409 . . . . 0.0 111.862 -169.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -128.88 -55.6 1.2 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.892 1.223 . . . . 0.0 111.465 165.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.88 -29.0 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.663 1.185 . . . . 0.0 111.966 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -19.72 -66.76 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 129.677 3.191 . . . . 0.0 114.029 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mm -85.83 -17.84 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.447 0.699 . . . . 0.0 110.654 -171.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 177.574 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.308 0.575 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.436 ' CG ' ' H ' ' A' ' 3' ' ' ASN . 0.3 OUTLIER -163.58 -84.97 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 -154.658 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.549 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 22.2 p30 -127.9 158.56 37.47 Favored 'General case' 0 N--CA 1.428 -1.573 0 C-N-CA 127.621 2.369 . . . . 0.0 105.558 158.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.47 175.24 32.28 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 -167.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -79.61 106.6 11.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 124.283 0.637 . . . . 0.0 109.885 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.89 131.08 38.38 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.491 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 8.4 m -109.25 142.89 20.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 123.632 0.773 . . . . 0.0 109.717 -175.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -22.18 -109.5 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 131.097 3.759 . . . . 0.0 114.34 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -124.08 36.59 4.59 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.623 1.569 . . . . 0.0 107.042 153.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 t -154.22 -66.36 0.14 Allowed 'General case' 0 C--N 1.343 0.289 0 O-C-N 121.831 -0.543 . . . . 0.0 112.372 -175.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 157.4 -37.57 0.55 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 -161.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -24.27 127.88 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.658 1.183 . . . . 0.0 110.371 143.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.8 m -95.97 -176.78 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.205 1.002 . . . . 0.0 109.971 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 t -139.45 144.16 37.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 162.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -119.92 -175.49 2.98 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.097 1.759 . . . . 0.0 108.562 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.5 p 161.03 -178.16 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 127.951 2.5 . . . . 0.0 109.445 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.81 -41.42 8.46 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.851 1.26 . . . . 0.0 111.418 164.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.96 123.6 22.41 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.387 -0.82 . . . . 0.0 113.205 -169.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -54.59 -44.54 73.09 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.701 -0.624 . . . . 0.0 110.183 163.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -55.67 -44.24 77.09 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.745 1.218 . . . . 0.0 111.802 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -53.56 -53.32 53.38 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -52.09 62.68 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.107 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -42.33 -50.05 5.06 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 120.268 1.394 . . . . 0.0 111.946 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -56.64 -59.34 5.15 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 119.413 -0.327 . . . . 0.0 111.149 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mm -53.9 -56.61 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.14 0.976 . . . . 0.0 110.574 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.0 m -36.97 -56.88 0.85 Allowed 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 128.538 2.735 . . . . 0.0 111.339 173.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.11 -31.65 44.28 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.212 -175.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -65.05 -47.98 75.45 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.857 0.863 . . . . 0.0 110.584 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.2 t -106.32 -45.77 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 C-N-CA 124.73 1.212 . . . . 0.0 110.304 -167.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -100.88 -9.69 21.37 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.382 1.073 . . . . 0.0 111.93 -171.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.26 39.9 m-85 64.36 27.87 13.69 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.734 1.614 . . . . 0.0 113.439 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.69 143.22 32.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 122.749 0.419 . . . . 0.0 110.919 174.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -65.16 -43.39 91.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.566 0.698 . . . . 0.0 111.373 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 t -155.96 -164.55 1.73 Allowed 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.511 -0.743 . . . . 0.0 109.936 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.06 176.02 25.12 Favored Glycine 0 C--N 1.332 0.31 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 -154.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -170.53 164.72 8.47 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.3 m -75.14 91.09 2.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.6 t -67.84 165.05 18.32 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.449 1.499 . . . . 0.0 109.133 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -13.59 -57.93 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 129.071 2.948 . . . . 0.0 114.417 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.76 48.5 0.87 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.973 0.416 . . . . 0.0 111.669 170.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 t -168.74 -169.92 1.1 Allowed 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.179 -0.95 . . . . 0.0 109.952 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 t -117.06 107.03 14.03 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 124.558 1.143 . . . . 0.0 110.168 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.92 147.51 45.21 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.504 -1.226 . . . . 0.0 107.983 170.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -135.73 160.32 38.9 Favored 'General case' 0 N--CA 1.426 -1.641 0 C-N-CA 125.946 1.698 . . . . 0.0 108.018 172.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -127.15 23.52 6.47 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.65 1.98 . . . . 0.0 113.882 -172.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.28 49.84 0.2 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 169.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.584 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 2.8 mp -60.01 163.59 4.61 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 122.248 1.023 . . . . 0.0 109.761 -178.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 51.9 t0 -67.24 -160.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.435 -1.711 . . . . 0.0 106.89 163.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.457 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 3.7 t70 -66.56 -171.35 0.12 Allowed 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.742 -0.599 . . . . 0.0 110.738 174.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -83.45 72.04 10.27 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 124.412 2.053 . . . . 0.0 109.515 -172.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 55.4 0.17 Allowed 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 112.682 -2.054 . . . . 0.0 109.738 161.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.2 63.09 2.34 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.272 1.829 . . . . 0.0 111.826 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 m -62.9 137.3 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 167.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.17 169.4 3.52 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 123.224 1.488 . . . . 0.0 111.69 -173.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -100.22 112.89 25.23 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 112.718 -2.037 . . . . 0.0 106.15 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.1 pt -112.06 145.44 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 123.422 0.689 . . . . 0.0 109.591 -163.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 150.7 40.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -176.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -58.67 -61.72 2.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.969 0.89 . . . . 0.0 110.567 -170.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.73 -41.37 56.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.953 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.1 p -71.55 -31.31 66.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.081 -0.648 . . . . 0.0 112.312 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -65.85 0.57 Allowed 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 105.943 -1.873 . . . . 0.0 105.943 171.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -47.02 -49.16 21.58 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.655 0.782 . . . . 0.0 112.211 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -48.52 -49.75 34.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.415 1.086 . . . . 0.0 111.111 171.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.0 m -102.85 34.82 2.7 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.381 1.872 . . . . 0.0 112.622 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -118.37 -76.99 0.57 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.293 1.037 . . . . 0.0 109.227 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.48 -21.57 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 123.958 0.903 . . . . 0.0 111.458 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -19.98 -64.85 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 130.331 3.452 . . . . 0.0 114.86 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.34 -14.87 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.367 0.667 . . . . 0.0 111.688 -169.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.4 mt . . . . . 0 CA--C 1.532 0.257 0 O-C-N 121.055 -1.028 . . . . 0.0 108.478 -179.559 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 48' ' ' ASP . 33.3 mttt . . . . . 0 CA--C 1.532 0.275 0 CA-C-O 121.468 0.651 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -77.54 -178.21 5.15 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.401 ' CB ' ' HA ' ' A' ' 45' ' ' PHE . 42.1 p-10 -73.01 147.21 45.34 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 153.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.88 -161.51 32.79 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 107.09 -2.404 . . . . 0.0 107.09 -159.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -102.57 139.17 38.51 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 117.217 0.509 . . . . 0.0 110.56 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.85 130.52 42.77 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.708 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.04 147.94 16.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 O-C-N 123.102 0.251 . . . . 0.0 110.699 167.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -15.27 -76.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 128.966 2.906 . . . . 0.0 113.124 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 164.38 -44.3 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 130.834 3.654 . . . . 0.0 105.405 -164.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 p -95.53 19.19 11.38 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.772 2.029 . . . . 0.0 110.609 172.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.79 35.58 35.29 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.272 0.939 . . . . 0.0 114.442 162.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.2 127.0 55.46 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.08 151.55 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.8 t -67.59 137.62 55.81 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 166.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -46.08 -64.91 0.63 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.922 1.689 . . . . 0.0 110.129 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.286 0.7 OUTLIER 73.58 99.89 0.07 Allowed 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 127.025 2.13 . . . . 0.0 112.263 -178.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.71 -35.41 75.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.917 172.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pp -159.37 160.73 35.31 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.771 0.796 . . . . 0.0 111.49 -172.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -62.55 -46.98 85.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.373 1.069 . . . . 0.0 111.957 -170.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -55.68 -48.05 75.73 Favored 'General case' 0 CA--C 1.526 0.055 0 CA-C-O 119.691 -0.195 . . . . 0.0 110.595 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.23 -53.63 47.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.5 t -53.09 -57.81 9.15 Favored 'General case' 0 C--O 1.225 -0.218 0 O-C-N 123.062 0.226 . . . . 0.0 110.779 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -50.36 -56.15 12.57 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.425 1.49 . . . . 0.0 111.453 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -51.86 -54.4 29.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 124.458 1.103 . . . . 0.0 111.423 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 mm -55.26 -46.1 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 123.814 0.846 . . . . 0.0 109.254 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.365 0.1 OUTLIER -67.13 -37.87 84.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -170.159 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.1 t -70.45 -37.83 74.39 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.607 167.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -66.16 -41.74 89.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 119.346 0.975 . . . . 0.0 110.852 -170.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -98.04 -62.9 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.338 0 C-N-CA 125.648 1.579 . . . . 0.0 108.262 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -90.07 -4.93 57.08 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.446 0.698 . . . . 0.0 112.838 -164.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 52.38 37.19 21.87 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 124.862 1.265 . . . . 0.0 111.9 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.42 140.88 44.99 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 167.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -76.22 -5.66 47.84 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.611 -0.681 . . . . 0.0 112.734 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.0 -165.47 0.24 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.992 1.317 . . . . 0.0 108.783 174.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.84 169.27 22.04 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 127.219 2.342 . . . . 0.0 107.629 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -175.17 169.2 3.32 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.314 1.446 . . . . 0.0 109.267 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.75 89.66 2.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.241 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.91 163.04 12.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 160.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 mt -22.98 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 128.916 2.886 . . . . 0.0 116.352 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -149.59 32.96 0.7 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.743 0.701 . . . . 0.0 111.483 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.31 168.0 15.46 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 121.076 -1.015 . . . . 0.0 112.902 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.08 102.58 10.32 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.386 1.074 . . . . 0.0 110.559 169.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -59.99 151.35 26.52 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 113.932 -1.485 . . . . 0.0 107.814 151.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 16.5 m -157.55 131.64 8.22 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 -171.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' HA ' ' CB ' ' A' ' 3' ' ' ASN . 40.4 m-85 -100.34 128.91 46.29 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 119.034 0.834 . . . . 0.0 111.892 -169.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.85 61.17 7.1 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.534 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -58.89 120.82 9.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -175.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' OD1' ' NZ ' ' A' ' 1' ' ' LYS . 58.8 t0 -83.7 -57.37 3.25 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -48.11 -47.0 34.66 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.819 172.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.9 t0 45.44 81.46 0.04 OUTLIER 'General case' 0 C--N 1.341 0.239 0 CA-C-O 124.686 2.184 . . . . 0.0 110.681 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -75.46 71.32 2.4 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 111.645 -2.525 . . . . 0.0 108.889 161.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.95 57.52 6.46 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.749 1.22 . . . . 0.0 110.983 166.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.1 m -38.06 128.67 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 O-C-N 124.564 1.165 . . . . 0.0 112.015 -162.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.12 170.51 4.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 123.594 1.664 . . . . 0.0 112.597 -171.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.64 121.91 44.53 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 111.696 -2.502 . . . . 0.0 107.673 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.24 150.23 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.859 1.664 . . . . 0.0 108.19 -172.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -73.2 154.97 40.05 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.86 -43.58 83.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 122.877 1.323 . . . . 0.0 110.488 -169.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.5 72.67 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.588 171.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.7 p -69.27 -41.27 77.09 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 118.687 0.676 . . . . 0.0 111.522 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -49.5 -59.81 3.41 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 t -51.17 -56.15 14.27 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.407 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -50.01 -43.86 50.91 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.736 0.814 . . . . 0.0 110.908 176.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.2 m -106.72 34.35 3.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.071 1.348 . . . . 0.0 112.214 -169.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -125.7 -59.63 1.35 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.93 1.241 . . . . 0.0 112.072 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.17 -24.27 23.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.765 1.226 . . . . 0.0 112.089 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -20.43 -67.61 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 129.527 3.131 . . . . 0.0 113.591 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mm -89.71 -47.28 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.566 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.211 0 N-CA-C 110.699 -0.111 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.13 155.24 50.47 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 128.352 2.661 . . . . 0.0 105.852 172.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -35.65 117.19 0.42 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.36 1.464 . . . . 0.0 110.585 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 -159.18 7.87 Favored Glycine 0 N--CA 1.459 0.185 0 N-CA-C 108.042 -2.023 . . . . 0.0 108.042 -166.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.02 156.34 24.27 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.047 154.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.15 139.54 30.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.789 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 m -137.08 143.67 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 149.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -158.05 0.37 Allowed 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.115 0.884 . . . . 0.0 111.175 -172.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t -72.91 48.54 0.21 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.526 -1.216 . . . . 0.0 109.244 154.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -165.87 -53.77 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.368 1.067 . . . . 0.0 109.687 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.32 31.88 66.97 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 123.502 0.572 . . . . 0.0 113.445 -171.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.28 81.59 0.09 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 157.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 m -46.81 121.95 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 122.006 0.908 . . . . 0.0 112.054 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.8 m -78.08 75.62 4.61 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -47.59 -62.39 1.47 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.814 1.245 . . . . 0.0 109.374 169.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.3 p 56.94 178.4 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.753 2.421 . . . . 0.0 115.577 169.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -50.2 0.95 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.503 1.521 . . . . 0.0 110.029 173.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.97 75.05 5.49 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.076 -1.015 . . . . 0.0 111.72 -171.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -18.79 -50.62 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.831 2.852 . . . . 0.0 116.293 174.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -48.34 -47.72 36.79 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.846 1.258 . . . . 0.0 111.424 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.59 -50.51 69.92 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.922 0.889 . . . . 0.0 109.749 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.29 -53.37 58.08 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.041 0.448 . . . . 0.0 109.802 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -47.46 65.29 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.719 1.208 . . . . 0.0 110.015 176.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.73 -56.17 24.91 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 121.791 -0.568 . . . . 0.0 111.836 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.9 mm -53.56 -50.93 46.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.987 0.915 . . . . 0.0 109.888 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.0 m -46.22 -50.92 15.25 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.569 1.947 . . . . 0.0 110.655 176.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -76.66 -31.67 57.45 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.644 -1.285 . . . . 0.0 112.751 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -46.18 63.42 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.225 -0.922 . . . . 0.0 110.702 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 t -105.16 -53.2 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 C-N-CA 125.485 1.514 . . . . 0.0 109.294 -172.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -75.96 -45.21 36.1 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.174 -167.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.306 21.3 m-85 82.97 31.85 0.08 Allowed 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 126.341 1.856 . . . . 0.0 111.037 -171.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 162.17 0.28 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.994 144.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 t -92.31 -22.31 19.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.783 0.833 . . . . 0.0 111.912 164.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -167.48 -157.11 0.22 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.33 174.29 31.0 Favored Glycine 0 C--N 1.338 0.653 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 -170.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.45 172.43 7.1 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.447 1.099 . . . . 0.0 109.533 177.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.0 m -76.73 89.46 3.39 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 125.835 1.654 . . . . 0.0 108.98 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.5 t -83.89 163.67 19.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.792 1.237 . . . . 0.0 109.733 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -39.67 -21.49 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 129.892 3.277 . . . . 0.0 117.557 -167.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.02 22.1 0.37 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.087 1.312 . . . . 0.0 113.658 166.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -173.44 -173.81 0.93 Allowed 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.038 -1.039 . . . . 0.0 109.854 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 104.58 17.15 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 125.354 1.461 . . . . 0.0 109.987 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.13 147.89 28.46 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-N 114.559 -1.201 . . . . 0.0 109.294 161.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.501 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 17.0 m -136.48 117.77 14.59 Favored 'General case' 0 N--CA 1.413 -2.317 0 O-C-N 125.659 1.849 . . . . 0.0 106.41 172.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -75.32 151.42 38.28 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.054 0.942 . . . . 0.0 109.826 170.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.52 48.9 27.77 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 124.762 1.172 . . . . 0.0 112.234 172.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 49.8 mt -63.18 146.89 52.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 163.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -133.16 -51.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.833 0.853 . . . . 0.0 110.024 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -62.39 165.28 6.24 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.607 157.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -143.34 100.98 3.72 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 170.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -56.01 7.56 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.818 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -177.91 57.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.254 2.222 . . . . 0.0 107.045 170.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.0 m -60.17 151.09 5.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.125 0.488 . . . . 0.0 110.125 -168.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.6 161.13 31.27 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 123.513 1.625 . . . . 0.0 110.87 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -124.8 70.46 1.14 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 111.617 -2.538 . . . . 0.0 105.946 -157.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 pt -90.06 157.8 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.849 -150.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.69 145.08 53.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.18 -39.81 93.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.524 2.33 . . . . 0.0 110.929 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.13 -60.98 2.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.756 166.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -38.48 80.86 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -48.68 -55.01 12.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.825 0.739 . . . . 0.0 110.583 173.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.3 t -63.21 -56.55 15.69 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.343 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -51.63 -30.69 22.39 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 126.471 1.909 . . . . 0.0 112.22 -175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.4 m -120.83 33.23 5.64 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.745 -1.121 . . . . 0.0 111.035 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -137.71 -51.37 0.62 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.154 1.343 . . . . 0.0 111.585 164.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.71 -35.3 13.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.679 1.192 . . . . 0.0 110.824 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -20.35 -66.54 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 128.69 2.796 . . . . 0.0 113.045 165.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.1 mt -100.41 -40.66 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.6 mm . . . . . 0 C--O 1.231 0.117 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.137 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.9 tttp . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 122.372 1.082 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.92 -174.17 2.97 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.843 2.057 . . . . 0.0 108.466 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 45' ' ' PHE . 12.0 p-10 -65.04 108.08 1.71 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.002 -1.061 . . . . 0.0 108.804 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.6 -167.6 16.51 Favored Glycine 0 CA--C 1.522 0.485 0 C-N-CA 126.02 1.771 . . . . 0.0 109.166 -166.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -106.36 147.28 29.42 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 118.803 -1.159 . . . . 0.0 108.37 146.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.85 137.44 40.15 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 125.221 1.576 . . . . 0.0 109.517 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.64 161.99 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.223 0.609 . . . . 0.0 110.07 165.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -52.03 168.48 0.09 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.759 1.223 . . . . 0.0 111.051 165.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -52.31 -20.7 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.652 -1.613 . . . . 0.0 112.536 169.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 p -125.79 31.98 5.38 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.674 1.124 . . . . 0.0 111.707 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.55 42.65 13.6 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 114.275 0.47 . . . . 0.0 114.275 157.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -123.64 131.7 53.68 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.608 0.763 . . . . 0.0 109.538 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 m -76.22 136.33 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 122.994 0.518 . . . . 0.0 110.152 -176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -82.9 68.94 9.59 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 177.49 2.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.007 0.432 . . . . 0.0 110.828 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.7 p 160.96 174.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 126.847 2.059 . . . . 0.0 111.167 -162.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.12 -42.14 9.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.919 0.888 . . . . 0.0 111.156 162.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.69 117.03 12.75 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.351 -0.843 . . . . 0.0 113.156 -168.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -48.96 -51.4 30.59 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.18 0.992 . . . . 0.0 110.999 170.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -56.47 -49.88 73.37 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.704 0.801 . . . . 0.0 110.497 -174.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -49.92 -60.0 3.33 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.043 0.937 . . . . 0.0 110.247 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -51.48 -53.8 33.63 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.451 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -49.45 75.69 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -176.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -52.64 -53.23 49.92 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 124.561 1.144 . . . . 0.0 110.795 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.9 mm -60.6 -48.34 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.267 0.627 . . . . 0.0 109.896 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -37.09 85.83 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.92 -168.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.7 t -76.04 -47.58 24.2 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 123.324 0.39 . . . . 0.0 111.204 169.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -52.6 -52.5 55.05 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.875 0.87 . . . . 0.0 110.786 -170.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 t -89.26 -60.25 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 C-N-CA 124.268 1.027 . . . . 0.0 108.591 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.64 17.64 21.1 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 p90 54.65 36.42 26.02 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 159.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.71 -173.68 0.05 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.561 0.344 . . . . 0.0 110.119 147.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.9 p -108.01 -93.1 0.41 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.433 1.093 . . . . 0.0 108.798 168.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -83.45 -164.84 0.96 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.014 1.326 . . . . 0.0 109.328 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.16 170.51 16.87 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 -174.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -175.07 160.4 2.75 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.033 1.733 . . . . 0.0 108.766 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.0 m -75.37 88.5 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.69 168.89 4.43 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.921 1.289 . . . . 0.0 108.561 169.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 tp 0.44 -64.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 130.529 3.532 . . . . 0.0 115.349 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.38 39.36 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.707 1.203 . . . . 0.0 110.249 173.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 m -161.74 153.51 19.04 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.193 -0.942 . . . . 0.0 110.673 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.8 t -86.54 103.68 15.28 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.942 0.877 . . . . 0.0 110.906 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.85 150.31 48.78 Favored 'General case' 0 CA--C 1.495 -1.158 0 C-N-CA 126.422 1.889 . . . . 0.0 108.715 169.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 47' ' ' LEU 0.265 23.6 m -158.62 110.47 2.21 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -157.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HA ' ' CB ' ' A' ' 3' ' ' ASN . 24.8 m-85 -83.55 141.09 31.84 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 123.188 0.305 . . . . 0.0 110.639 -168.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.44 61.3 5.16 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 124.241 0.924 . . . . 0.0 111.905 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.537 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 1.8 mt -63.4 116.12 5.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 163.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -92.12 -76.26 0.46 Allowed 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.05 149.89 2.58 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 153.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.95 85.33 2.36 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 129.257 3.023 . . . . 0.0 106.569 -163.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CD ' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -83.34 56.73 3.67 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 126.534 1.934 . . . . 0.0 107.4 -175.274 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 38.25 55.95 1.74 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.83 1.652 . . . . 0.0 109.865 -166.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.91 144.98 8.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 CA-C-O 121.313 0.578 . . . . 0.0 109.727 -166.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.22 164.6 26.45 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 124.167 1.937 . . . . 0.0 114.243 -162.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -83.47 66.61 8.98 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 111.846 -2.433 . . . . 0.0 107.579 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.49 134.9 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.118 -176.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.08 146.84 23.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -172.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.79 -41.86 91.46 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 125.528 1.531 . . . . 0.0 110.84 -168.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.42 -54.11 36.4 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.078 166.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.3 p -68.01 -30.53 69.8 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.15 -1.02 . . . . 0.0 112.529 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -54.21 -58.0 9.05 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.011 1.325 . . . . 0.0 107.856 173.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -63.25 -48.4 78.35 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 119.087 -1.045 . . . . 0.0 110.987 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -49.55 -42.36 43.92 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 123.609 0.764 . . . . 0.0 111.123 176.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 59.7 m -125.34 52.59 1.6 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.916 1.286 . . . . 0.0 111.134 -167.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -139.59 -60.57 0.55 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.445 0.641 . . . . 0.0 110.818 164.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -45.78 -37.54 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.238 1.815 . . . . 0.0 111.456 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -22.48 -63.16 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 128.292 2.637 . . . . 0.0 112.918 168.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.9 mt -106.65 -35.53 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 C-N-CA 124.388 1.075 . . . . 0.0 108.55 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 C--N 1.34 0.191 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 168.727 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.431 ' HZ1' ' CG ' ' A' ' 48' ' ' ASP . 1.5 mptm? . . . . . 0 N--CA 1.45 -0.442 0 CA-C-O 119.119 -0.467 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.3 -168.03 2.89 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -166.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -125.2 152.74 44.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.513 1.052 . . . . 0.0 109.502 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.56 168.38 40.75 Favored Glycine 0 CA--C 1.52 0.345 0 O-C-N 121.206 -0.934 . . . . 0.0 110.801 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -86.13 108.29 18.24 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 171.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.03 137.28 40.13 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -172.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 m -143.1 159.48 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 166.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -160.0 0.38 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.511 0.672 . . . . 0.0 109.742 172.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -74.51 47.79 0.32 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.006 154.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -135.2 -58.6 0.79 Allowed 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.905 1.282 . . . . 0.0 108.589 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.69 64.56 3.36 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 122.349 0.971 . . . . 0.0 110.923 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.63 147.05 52.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 104.533 -2.395 . . . . 0.0 104.533 154.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -75.21 126.75 36.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 121.163 0.506 . . . . 0.0 111.088 -167.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 m -75.39 64.04 1.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.376 0.67 . . . . 0.0 109.309 170.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 177.82 1.11 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 168.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.5 p 155.15 169.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.272 1.829 . . . . 0.0 110.731 -162.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.96 -37.55 5.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.881 1.272 . . . . 0.0 110.012 158.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.07 80.17 2.91 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.116 -0.99 . . . . 0.0 110.943 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -27.06 -45.98 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.477 2.311 . . . . 0.0 114.635 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -41.84 -48.7 4.41 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.2 1.4 . . . . 0.0 112.88 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.42 -56.3 22.88 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.621 0.646 . . . . 0.0 109.985 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.13 -55.37 21.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.733 0.813 . . . . 0.0 109.203 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -51.68 -56.42 13.78 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 123.788 0.835 . . . . 0.0 111.908 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -49.86 -54.8 17.22 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.276 1.431 . . . . 0.0 111.787 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.47 -47.38 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.636 0.731 . . . . 0.0 109.764 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.85 -40.07 91.38 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.465 -169.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -71.9 -42.28 66.94 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 172.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -53.76 -50.44 66.02 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 123.576 0.75 . . . . 0.0 111.293 -175.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.6 t -98.64 -50.5 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 123.816 0.847 . . . . 0.0 110.722 -171.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -103.17 -7.49 21.2 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 124.259 1.024 . . . . 0.0 112.716 -168.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.323 60.9 m-85 65.95 33.14 8.03 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.64 179.08 0.26 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.717 0.77 . . . . 0.0 112.705 157.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.8 p -129.79 -83.76 0.55 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.771 2.428 . . . . 0.0 107.22 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 m -77.49 171.27 15.16 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 167.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.95 156.3 8.3 Favored Glycine 0 C--N 1.33 0.225 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 -167.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -179.9 176.64 0.73 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -158.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 m -76.09 97.23 4.02 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 174.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.67 160.29 23.76 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 169.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -9.05 -62.07 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 129.992 3.317 . . . . 0.0 114.977 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.46 5.76 3.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.971 1.308 . . . . 0.0 112.857 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -163.54 -175.69 4.31 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 121.239 -0.913 . . . . 0.0 111.425 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.7 t -109.65 108.76 19.28 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 124.351 1.061 . . . . 0.0 111.61 -162.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -92.62 153.57 18.92 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.984 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.5 m -149.63 150.36 32.05 Favored 'General case' 0 N--CA 1.418 -2.061 0 O-C-N 125.211 1.569 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -128.36 122.49 31.61 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 128.123 2.569 . . . . 0.0 105.056 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.82 -14.63 37.92 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 117.362 -1.799 . . . . 0.0 113.453 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.516 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -32.8 101.44 0.02 OUTLIER 'General case' 0 C--N 1.35 0.621 0 C-N-CA 125.949 1.699 . . . . 0.0 110.366 175.551 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.431 ' CG ' ' HZ1' ' A' ' 1' ' ' LYS . 30.4 t70 -62.55 -49.81 73.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.983 1.313 . . . . 0.0 109.253 -168.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -101.72 159.75 15.05 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 112.727 -2.033 . . . . 0.0 108.229 160.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -122.11 33.12 5.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.814 1.646 . . . . 0.0 110.658 -166.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -10.57 -64.88 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.129 1 C-N-CA 131.726 4.01 . . . . 0.0 114.216 -156.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.51 54.05 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.152 -1.386 . . . . 0.0 107.449 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 m -55.06 144.66 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-O 121.967 0.889 . . . . 0.0 112.408 -169.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.73 167.37 20.03 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 123.025 1.393 . . . . 0.0 109.43 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.32 132.98 43.35 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 112.823 -1.989 . . . . 0.0 109.765 -175.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -98.88 138.05 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 124.646 1.179 . . . . 0.0 108.969 178.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.64 147.08 47.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 168.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -40.31 95.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 122.924 1.345 . . . . 0.0 111.032 -168.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.66 82.68 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.765 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -41.77 68.0 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 118.89 0.768 . . . . 0.0 109.486 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -50.03 -61.07 2.36 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 125.32 1.448 . . . . 0.0 108.429 172.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -53.21 -54.83 30.31 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.587 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -49.0 -43.53 40.32 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 124.332 1.053 . . . . 0.0 111.153 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 91.1 m -109.64 40.09 1.96 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 112.216 -172.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -133.79 -53.53 0.87 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.582 1.537 . . . . 0.0 110.979 167.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.6 t -48.79 -31.94 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.003 1.321 . . . . 0.0 111.782 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -17.39 -61.08 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 129.641 3.176 . . . . 0.0 114.559 170.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.9 mm -67.78 -27.1 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 122.615 0.366 . . . . 0.0 111.65 -170.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.3 mt . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.731 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.407 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 39.3 mtpt . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.5 -157.86 0.66 Allowed 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.18 150.97 2.2 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.641 1.176 . . . . 0.0 110.236 167.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 -137.43 2.27 Favored Glycine 0 C--N 1.328 0.091 0 N-CA-C 107.721 -2.152 . . . . 0.0 107.721 156.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -111.43 135.48 51.93 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 118.647 1.224 . . . . 0.0 112.154 160.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.88 130.63 40.85 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 124.312 1.008 . . . . 0.0 109.311 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.443 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 27.9 m -138.22 153.05 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 160.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -93.72 -152.97 0.35 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.057 0.456 . . . . 0.0 111.617 -169.679 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -68.83 48.12 0.06 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.91 149.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 8' ' ' ASP . 65.4 p -141.09 -49.48 0.42 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 127.087 2.155 . . . . 0.0 109.697 175.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.443 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 82.33 12.09 81.14 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.932 1.253 . . . . 0.0 111.52 -165.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -91.5 132.24 36.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.094 0.947 . . . . 0.0 109.658 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.69 160.56 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.074 0.95 . . . . 0.0 109.422 168.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -86.25 127.56 34.78 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 158.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -70.18 -71.16 0.25 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.163 0.985 . . . . 0.0 108.494 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.4 p 59.77 178.31 0.09 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 127.599 2.359 . . . . 0.0 116.042 160.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.85 -43.98 1.21 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.83 1.652 . . . . 0.0 111.653 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.89 116.43 11.18 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.108 -0.995 . . . . 0.0 112.986 -172.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -60.25 -53.82 53.1 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.894 0.877 . . . . 0.0 110.403 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -43.63 82.46 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.209 0.604 . . . . 0.0 110.683 -175.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -51.3 -55.46 18.2 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -50.76 72.52 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.458 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -44.1 -49.44 8.9 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.026 1.331 . . . . 0.0 111.415 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.94 -51.2 70.26 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 121.827 -0.546 . . . . 0.0 111.191 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.8 mm -56.52 -54.0 33.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.581 1.153 . . . . 0.0 110.179 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.7 m -42.06 -55.86 3.04 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 128.505 2.722 . . . . 0.0 110.369 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 t -75.11 -33.23 61.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.053 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -52.51 -53.07 50.99 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 124.012 0.925 . . . . 0.0 112.289 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -115.39 -44.34 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 123.654 0.781 . . . . 0.0 110.253 -165.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -89.0 -2.68 58.7 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.03 1.332 . . . . 0.0 111.388 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.291 85.6 m-85 47.89 37.6 7.68 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.575 1.55 . . . . 0.0 112.226 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.54 173.34 0.97 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.839 0.828 . . . . 0.0 110.28 162.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -97.07 -91.22 0.25 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 166.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 m -85.73 -167.42 1.84 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.824 1.25 . . . . 0.0 110.346 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.22 170.31 15.38 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -173.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -176.51 168.98 2.67 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.83 1.252 . . . . 0.0 109.167 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -76.55 89.06 3.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.3 t -59.47 159.43 8.19 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 168.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -9.7 -57.19 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.28 3.032 . . . . 0.0 115.572 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.41 47.47 0.75 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.018 0.437 . . . . 0.0 110.73 168.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -162.06 170.21 19.62 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 120.923 -1.11 . . . . 0.0 110.381 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 t -103.0 95.73 6.33 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 122.023 0.916 . . . . 0.0 111.334 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.9 145.61 56.06 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-N 113.425 -1.716 . . . . 0.0 109.42 172.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.611 ' HB3' ' CD2' ' A' ' 47' ' ' LEU 0.281 16.3 m -146.59 137.8 24.3 Favored 'General case' 0 N--CA 1.418 -2.065 0 O-C-N 126.049 2.093 . . . . 0.0 105.698 -174.709 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -103.71 134.01 47.75 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.249 0.931 . . . . 0.0 109.914 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.46 60.75 8.08 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.611 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 3.7 mt -56.98 129.77 43.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 170.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -108.52 -62.45 1.46 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -169.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.495 ' CG ' ' HZ2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -47.41 -61.85 1.72 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.526 -1.215 . . . . 0.0 107.762 157.529 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' HB3' ' CE ' ' A' ' 1' ' ' LYS . 52.2 t0 44.57 62.13 2.17 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 123.354 1.549 . . . . 0.0 109.227 175.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.495 ' HZ2' ' CG ' ' A' ' 49' ' ' ASP 0.282 0.0 OUTLIER -60.12 -31.74 70.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.741 -175.315 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.94 109.14 0.11 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.512 1.525 . . . . 0.0 108.431 154.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.9 m -53.43 149.75 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 119.889 1.222 . . . . 0.0 109.39 166.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tp -67.09 166.46 13.82 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 123.929 1.823 . . . . 0.0 112.407 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.25 71.78 10.2 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 111.658 -2.519 . . . . 0.0 107.265 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.27 147.27 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.235 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.57 137.21 32.52 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.96 -45.17 86.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.96 1.362 . . . . 0.0 111.827 -159.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.1 77.66 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.748 172.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.1 p -72.75 -36.08 67.62 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 118.582 -1.247 . . . . 0.0 111.85 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -49.7 -58.62 4.94 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 125.45 1.5 . . . . 0.0 108.686 169.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.3 m -55.24 -51.92 65.07 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.788 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -53.44 -42.64 67.34 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.058 0.543 . . . . 0.0 111.417 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.9 m -106.28 29.15 7.06 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 125.107 1.363 . . . . 0.0 113.016 -168.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -124.86 -52.25 1.68 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.132 1.333 . . . . 0.0 111.281 169.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.5 t -52.16 -31.89 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 124.557 1.143 . . . . 0.0 112.01 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -20.4 -71.03 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 130.406 3.482 . . . . 0.0 113.429 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.6 -16.57 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 124.215 1.006 . . . . 0.0 110.885 -175.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 174.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.81 -33.39 19.89 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 58.34 98.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.412 2.285 . . . . 0.0 110.251 175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.01 -159.76 11.14 Favored Glycine 0 N--CA 1.462 0.388 0 C-N-CA 125.899 1.714 . . . . 0.0 109.295 -165.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -113.33 131.31 56.01 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 162.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.96 133.41 52.99 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 119.647 -0.821 . . . . 0.0 112.263 -167.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.4 m -149.55 150.12 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 126.698 1.999 . . . . 0.0 105.871 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.29 -66.73 0.33 Allowed 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 126.162 1.785 . . . . 0.0 112.107 -168.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -168.27 36.55 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 126.438 1.895 . . . . 0.0 107.381 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.7 p -162.61 -73.11 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -174.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.64 46.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 -177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.91 73.87 2.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.712 1.256 . . . . 0.0 108.921 171.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.11 119.58 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 121.925 0.869 . . . . 0.0 110.379 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -79.52 68.3 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.046 0.938 . . . . 0.0 109.435 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 175.17 2.76 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.195 171.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.9 p 157.69 175.29 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 128.656 2.782 . . . . 0.0 111.03 -172.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -94.18 -42.75 8.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.15 0.98 . . . . 0.0 111.167 160.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.4 71.16 5.95 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.181 -0.95 . . . . 0.0 112.033 -171.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -7.56 -56.57 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.093 2.957 . . . . 0.0 116.892 168.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -50.28 -38.57 41.81 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.147 1.379 . . . . 0.0 112.077 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -52.07 -52.89 48.3 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.766 0.426 . . . . 0.0 110.122 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -53.66 55.46 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -49.17 -56.65 8.56 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.419 1.088 . . . . 0.0 111.272 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -49.14 -58.73 4.48 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 124.706 1.202 . . . . 0.0 111.321 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.1 mm -57.55 -41.22 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.267 0.9 OUTLIER -65.83 -41.59 91.6 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 120.434 -0.506 . . . . 0.0 112.054 -166.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -71.46 -48.78 47.11 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 170.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.66 -50.29 60.67 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.626 1.17 . . . . 0.0 111.908 -170.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -97.17 -52.61 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.517 0 C-N-CA 125.288 1.435 . . . . 0.0 109.674 -172.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -104.57 0.25 28.45 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -165.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.281 99.1 m-85 54.03 46.47 25.43 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.47 176.75 0.45 Allowed 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.818 139.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.9 p -109.3 -30.64 7.9 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.563 1.945 . . . . 0.0 110.82 161.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.76 -164.18 1.95 Allowed 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.46 -0.775 . . . . 0.0 110.095 174.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 175.71 20.21 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 -165.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -171.81 165.61 6.51 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.427 1.491 . . . . 0.0 108.109 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.5 m -75.64 85.35 2.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.65 167.91 14.19 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.342 1.057 . . . . 0.0 108.322 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -3.98 -55.92 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 131.008 3.723 . . . . 0.0 116.676 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.23 29.87 0.44 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 172.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -170.48 171.21 6.58 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.156 -0.965 . . . . 0.0 110.63 -173.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.3 t -95.84 100.82 12.48 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.02 152.72 44.88 Favored 'General case' 0 CA--C 1.482 -1.671 0 O-C-N 125.394 1.684 . . . . 0.0 108.975 167.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 94.8 m -152.21 116.08 4.87 Favored 'General case' 0 N--CA 1.404 -2.733 0 O-C-N 126.066 2.104 . . . . 0.0 107.865 -171.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -86.21 143.9 27.73 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.782 1.633 . . . . 0.0 108.741 171.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.21 2.81 79.82 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 117.965 -1.464 . . . . 0.0 114.212 171.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.523 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 7.4 mt -40.82 123.53 1.93 Allowed 'General case' 0 C--N 1.344 0.346 0 CA-C-N 118.483 1.142 . . . . 0.0 112.051 -173.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -117.52 -64.55 1.29 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 124.468 1.107 . . . . 0.0 110.276 -170.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -63.45 -39.67 95.08 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.684 1.194 . . . . 0.0 109.811 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 t0 56.96 47.43 17.69 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 123.163 1.458 . . . . 0.0 110.929 163.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -37.29 -66.07 0.26 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.812 2.045 . . . . 0.0 112.634 -168.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.38 64.31 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 -172.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.2 m -64.08 154.72 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.496 -167.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.05 168.29 10.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 123.02 1.391 . . . . 0.0 110.303 169.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -115.22 118.27 32.84 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 127.584 2.354 . . . . 0.0 106.391 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.5 pt -113.97 140.24 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.779 0.323 . . . . 0.0 110.371 -159.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.05 145.47 46.37 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.213 0.605 . . . . 0.0 109.671 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -58.05 -51.88 67.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 122.227 1.013 . . . . 0.0 109.899 -173.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.29 -37.92 50.03 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.265 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.57 -43.16 70.03 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.889 0.768 . . . . 0.0 109.345 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -59.92 3.68 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -50.81 -52.45 41.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.656 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -53.98 -44.02 70.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.501 0.721 . . . . 0.0 110.899 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.6 m -108.01 26.89 9.83 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.391 1.076 . . . . 0.0 113.17 -168.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -100.32 -73.55 0.63 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.666 1.121 . . . . 0.0 110.62 175.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.9 t -56.19 -27.23 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.81 1.644 . . . . 0.0 112.554 -169.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -28.61 -67.29 0.07 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 128.981 2.912 . . . . 0.0 112.793 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.87 -39.88 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 124.085 0.954 . . . . 0.0 109.052 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 171.388 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.8 pttm . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 122.243 1.02 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.97 -162.72 0.87 Allowed 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 169.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 33.6 p-10 -126.92 142.67 51.49 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.177 1.391 . . . . 0.0 108.082 166.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.99 168.57 40.88 Favored Glycine 0 CA--C 1.521 0.461 0 O-C-N 121.288 -0.883 . . . . 0.0 112.872 -155.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -83.11 102.84 12.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.609 1.163 . . . . 0.0 109.943 171.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.33 136.97 34.91 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.766 0.666 . . . . 0.0 109.45 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 21.1 m -135.63 151.29 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -1.08 -77.92 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 128.098 2.559 . . . . 0.0 113.595 159.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t 174.92 -42.04 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 131.31 3.844 . . . . 0.0 105.419 -168.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.4 t -89.56 -61.57 1.67 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.887 1.275 . . . . 0.0 109.118 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.413 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 162.62 27.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 117.135 1.614 . . . . 0.0 117.135 -174.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 83.86 2.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.293 1.547 . . . . 0.0 108.065 173.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.1 m -57.05 122.99 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -83.41 57.98 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.82 -0.55 . . . . 0.0 109.605 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -33.01 -82.2 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.801 2.441 . . . . 0.0 113.65 -166.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 71.84 166.99 0.31 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.151 1.78 . . . . 0.0 114.818 175.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.61 -55.12 2.51 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.46 1.504 . . . . 0.0 110.904 166.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.36 83.71 5.36 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.708 -1.245 . . . . 0.0 111.781 -171.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -12.52 -56.61 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 129.51 3.124 . . . . 0.0 116.319 171.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -39.39 -47.23 1.75 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.527 1.131 . . . . 0.0 112.102 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -53.56 -46.24 70.2 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.832 0.853 . . . . 0.0 111.669 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -49.21 74.17 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -41.32 58.52 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.331 0.514 . . . . 0.0 111.264 174.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.34 -57.46 12.9 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 121.667 -0.645 . . . . 0.0 111.452 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.58 -47.32 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 O-C-N 121.78 -0.575 . . . . 0.0 110.142 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.2 m -43.8 -58.69 2.59 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 127.469 2.308 . . . . 0.0 110.904 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -69.59 -42.42 74.48 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.42 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.01 -44.44 82.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.879 0.872 . . . . 0.0 111.828 -173.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.7 t -104.95 -43.81 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.157 0 C-N-CA 125.245 1.418 . . . . 0.0 111.019 -169.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -104.36 -9.35 18.55 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.117 0.967 . . . . 0.0 112.038 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.266 28.7 m-85 62.57 29.06 16.95 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.743 1.217 . . . . 0.0 112.621 -178.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.83 150.75 46.5 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.203 0.525 . . . . 0.0 110.768 168.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.9 p -84.15 -32.27 24.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.068 1.747 . . . . 0.0 110.659 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.3 t -148.06 -168.5 3.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.448 1.099 . . . . 0.0 108.895 177.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.68 169.14 13.61 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 -166.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -175.29 175.13 2.26 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -173.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 71.1 m -93.55 87.19 5.44 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 -171.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.4 t -69.04 164.55 22.16 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.647 1.579 . . . . 0.0 109.38 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tp -10.75 -59.11 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 129.466 3.106 . . . . 0.0 115.233 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -153.2 39.38 0.51 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.534 1.134 . . . . 0.0 109.291 174.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -161.89 175.12 12.21 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 120.62 -1.3 . . . . 0.0 110.942 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 t -112.33 110.29 20.43 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 111.969 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -87.6 149.23 24.45 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.44 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.3 m -135.97 161.29 36.06 Favored 'General case' 0 N--CA 1.423 -1.802 0 C-N-CA 126.353 1.861 . . . . 0.0 108.416 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -128.05 132.01 49.09 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 126.268 1.827 . . . . 0.0 108.435 170.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.28 42.14 10.91 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.857 1.217 . . . . 0.0 111.835 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 2.8 mp -67.41 78.98 0.16 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.087 1.444 . . . . 0.0 108.616 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.85 -48.87 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.49 1.116 . . . . 0.0 109.253 -176.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -64.4 -62.12 1.8 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 113.689 -1.596 . . . . 0.0 111.07 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t0 39.12 88.25 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.671 2.389 . . . . 0.0 112.792 -176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -58.04 -52.89 63.64 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 112.476 -2.147 . . . . 0.0 109.885 173.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -179.1 70.07 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.454 1.101 . . . . 0.0 109.741 -173.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.9 m -59.59 151.02 5.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 119.023 -1.071 . . . . 0.0 112.391 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.12 170.76 13.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.786 1.279 . . . . 0.0 111.975 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -109.66 121.87 46.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.687 2.395 . . . . 0.0 105.421 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 pt -122.21 145.66 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -158.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 146.29 26.29 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 122.984 0.513 . . . . 0.0 109.833 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -56.07 -56.77 16.84 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.03 -35.76 26.15 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.148 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -40.91 64.22 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.908 0.777 . . . . 0.0 109.896 177.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -57.73 11.07 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 119.078 0.854 . . . . 0.0 109.0 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -55.81 -45.27 78.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.267 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -59.07 -45.27 91.23 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 122.31 -0.244 . . . . 0.0 110.596 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.2 m -111.41 42.09 1.75 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.923 1.289 . . . . 0.0 112.821 -168.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -117.43 -69.33 0.86 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 119.257 0.935 . . . . 0.0 110.437 165.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.42 -19.94 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.415 1.486 . . . . 0.0 112.998 -170.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -29.79 -61.97 0.14 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 128.723 2.809 . . . . 0.0 114.073 -176.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.0 mm -68.26 -30.17 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 122.786 0.435 . . . . 0.0 111.43 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 175.399 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? . . . . . 0 N--CA 1.443 -0.822 0 CA-C-O 119.151 -0.452 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -118.08 -160.22 0.78 Allowed 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 169.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.455 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 26.1 m-20 -125.32 149.15 48.35 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 104.829 -2.285 . . . . 0.0 104.829 159.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.36 171.16 44.15 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 119.441 1.019 . . . . 0.0 111.901 -169.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -82.91 123.56 29.52 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 122.948 0.499 . . . . 0.0 110.345 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.33 141.29 28.88 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.8 m -121.69 160.13 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 C-N-CA 123.572 0.749 . . . . 0.0 110.413 168.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -170.85 0.11 Allowed 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.246 1.418 . . . . 0.0 113.858 -167.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -76.8 48.93 0.6 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 113.236 -1.802 . . . . 0.0 108.97 159.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 m -170.89 -38.18 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 127.112 2.165 . . . . 0.0 110.011 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.08 2.39 33.88 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 124.509 1.052 . . . . 0.0 112.069 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -67.75 149.36 50.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.792 1.296 . . . . 0.0 107.923 165.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.86 -177.01 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 162.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.7 m -118.92 144.18 46.58 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 149.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -75.05 0.13 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.96 1.704 . . . . 0.0 107.074 175.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.28 12.6 p 66.77 154.31 0.09 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 128.987 2.915 . . . . 0.0 113.863 -176.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -109.64 -51.27 2.89 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.797 1.239 . . . . 0.0 108.48 174.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.12 106.47 17.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.322 0.649 . . . . 0.0 109.975 -177.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -35.18 -43.68 0.23 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.478 1.511 . . . . 0.0 113.365 170.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -48.88 -45.27 40.85 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.807 1.243 . . . . 0.0 111.75 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.44 -53.78 49.53 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 176.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -56.69 -49.99 73.47 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.523 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -61.68 -51.34 68.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.41 -177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -50.9 -53.89 28.73 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.424 0.689 . . . . 0.0 111.796 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -58.28 -47.49 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-O 121.548 0.689 . . . . 0.0 109.659 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -39.34 78.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.3 -166.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 t -67.05 -42.69 84.34 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 170.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -54.87 -46.3 74.71 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 121.741 -0.599 . . . . 0.0 111.667 -176.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.3 t -105.57 -42.32 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 124.211 1.004 . . . . 0.0 111.71 -167.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -110.85 3.7 19.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.025 1.33 . . . . 0.0 111.662 -170.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.269 33.3 m-85 55.85 27.98 11.75 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 125.07 1.348 . . . . 0.0 113.976 176.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.58 148.69 23.33 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 122.881 0.472 . . . . 0.0 111.192 168.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.2 t -100.06 -11.29 20.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.745 1.618 . . . . 0.0 112.168 170.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -157.19 -167.29 2.28 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.553 1.07 . . . . 0.0 109.026 168.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.39 -175.82 27.49 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 108.134 -1.986 . . . . 0.0 108.134 -170.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 169.14 174.2 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 125.374 1.469 . . . . 0.0 108.835 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.3 m -78.2 87.3 4.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -74.34 161.92 29.39 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -7.12 -62.53 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 130.171 3.389 . . . . 0.0 114.976 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.0 mt -131.18 1.2 4.2 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.116 1.366 . . . . 0.0 112.813 -174.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -159.88 151.08 19.5 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 120.992 -1.068 . . . . 0.0 112.826 -170.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 119.75 8.68 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.278 1.031 . . . . 0.0 112.547 169.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -99.16 156.31 17.02 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 126.169 1.788 . . . . 0.0 109.313 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.3 m -140.1 159.83 41.31 Favored 'General case' 0 N--CA 1.416 -2.14 0 C-N-CA 124.877 1.271 . . . . 0.0 108.407 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -129.05 133.02 47.54 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.549 1.94 . . . . 0.0 106.339 171.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.82 37.11 13.88 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.06 1.314 . . . . 0.0 113.009 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.616 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 2.7 mp -66.54 107.89 2.23 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 118.616 1.208 . . . . 0.0 108.831 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -1.56 -85.24 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 128.289 2.635 . . . . 0.0 112.025 171.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -127.9 -174.83 3.3 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.02 1.328 . . . . 0.0 109.296 156.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -82.19 63.57 6.45 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 124.171 1.938 . . . . 0.0 108.979 171.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -35.75 65.3 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 112.89 -1.959 . . . . 0.0 110.517 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 173.42 73.97 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.966 2.106 . . . . 0.0 108.418 163.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 m -73.09 166.18 2.75 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 C-N-CA 118.396 -1.322 . . . . 0.0 110.889 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.5 mp -95.4 166.67 11.76 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 124.056 1.884 . . . . 0.0 113.035 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -85.01 73.38 10.69 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 111.714 -2.494 . . . . 0.0 110.418 -166.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 pt -49.24 132.72 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.571 168.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 151.13 35.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 176.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.5 -52.58 64.82 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 122.498 1.142 . . . . 0.0 110.196 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.19 -39.18 55.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.131 174.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -39.27 73.36 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 118.763 0.71 . . . . 0.0 109.282 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.44 -60.32 3.46 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 174.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 t -53.82 -45.11 70.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.055 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -60.3 -43.98 95.8 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.023 0.529 . . . . 0.0 111.32 176.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.8 m -117.34 29.05 8.11 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.214 1.406 . . . . 0.0 113.691 -165.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -117.67 -67.69 0.97 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 120.758 1.617 . . . . 0.0 110.646 172.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.2 t -52.75 -30.61 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.551 1.141 . . . . 0.0 112.563 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -23.29 -62.01 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 129.253 3.021 . . . . 0.0 114.436 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mm -68.96 -25.17 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 122.683 0.393 . . . . 0.0 111.559 -170.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.8 mt . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.068 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 N--CA 1.445 -0.68 0 CA-C-O 117.988 -1.006 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -89.77 -28.6 19.24 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 120.856 1.662 . . . . 0.0 110.178 -172.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 59.45 111.51 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 127.643 2.377 . . . . 0.0 107.688 -161.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.79 -166.01 10.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 126.638 2.066 . . . . 0.0 108.467 -163.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -119.12 136.82 53.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.023 168.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.22 141.61 39.72 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 123.708 0.63 . . . . 0.0 112.001 -171.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 m -138.9 161.04 29.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 125.243 1.417 . . . . 0.0 108.666 171.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -71.01 179.47 2.74 Favored 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 124.284 1.033 . . . . 0.0 109.45 167.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.52 63.84 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.296 1.838 . . . . 0.0 108.282 157.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.48 -31.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.221 1.808 . . . . 0.0 111.115 -167.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.91 49.2 49.96 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 119.388 0.995 . . . . 0.0 112.361 167.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -126.98 103.68 7.6 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.441 1.096 . . . . 0.0 108.376 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.59 162.75 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.111 0.481 . . . . 0.0 110.33 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 m -90.56 134.06 34.64 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 153.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -111.8 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 164.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 89.49 149.1 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 127.952 2.501 . . . . 0.0 113.363 172.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -96.42 -34.83 11.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.642 1.177 . . . . 0.0 111.523 171.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.23 66.92 5.89 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.132 -0.98 . . . . 0.0 111.228 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -3.97 -67.98 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 129.58 3.152 . . . . 0.0 116.058 174.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -57.32 -25.79 59.89 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 125.294 1.438 . . . . 0.0 112.45 -169.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -49.26 -48.72 45.61 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.205 0.457 . . . . 0.0 111.048 171.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -46.77 77.05 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.484 -173.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -44.65 -58.82 2.81 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.146 0.978 . . . . 0.0 110.906 169.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -49.73 -55.62 13.25 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.108 0.963 . . . . 0.0 111.5 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.9 mm -56.16 -43.08 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.015 0.526 . . . . 0.0 110.033 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.318 0.5 OUTLIER -66.87 -36.33 82.06 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -170.003 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.71 -49.86 42.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.927 168.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.98 -50.62 70.33 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.307 1.043 . . . . 0.0 111.23 -170.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.9 t -94.08 -59.45 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 C-N-CA 125.489 1.516 . . . . 0.0 109.504 -172.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -88.59 -32.05 18.3 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 123.71 0.804 . . . . 0.0 112.466 -163.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.347 70.3 m-85 76.35 31.46 0.62 Allowed 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 126.817 2.047 . . . . 0.0 113.302 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.98 163.61 0.48 Allowed 'General case' 0 CA--C 1.54 0.59 0 O-C-N 122.134 -0.353 . . . . 0.0 111.295 144.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 p -86.09 -84.99 0.16 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.023 0.929 . . . . 0.0 108.729 170.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -89.99 -159.27 0.58 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.059 1.343 . . . . 0.0 109.619 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.41 -179.95 20.49 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 -172.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 p90 173.83 168.57 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 C-N-CA 125.385 1.474 . . . . 0.0 108.845 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.6 m -76.25 99.73 4.85 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 38.7 t -95.48 160.36 14.55 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.114 0.966 . . . . 0.0 109.599 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -15.98 -41.34 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.347 1 C-N-CA 132.119 4.168 . . . . 0.0 117.431 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.75 13.61 0.82 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 171.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 m -161.49 171.63 17.82 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 119.259 0.936 . . . . 0.0 110.911 -175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 t -95.03 104.69 16.57 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.32 1.048 . . . . 0.0 111.316 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -81.99 156.69 24.55 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 113.4 -1.727 . . . . 0.0 110.294 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.501 ' HB3' ' CD2' ' A' ' 47' ' ' LEU 0.295 89.2 m -161.66 125.39 3.23 Favored 'General case' 0 N--CA 1.407 -2.62 0 O-C-N 126.277 2.236 . . . . 0.0 105.242 -159.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -94.42 161.49 14.21 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.89 26.58 67.34 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.268 -0.74 . . . . 0.0 112.621 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 1.1 mt -66.03 113.48 4.49 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.237 1.518 . . . . 0.0 107.007 166.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -121.53 -64.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -165.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -53.34 153.72 3.77 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.751 147.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -125.69 93.53 3.87 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 124.471 2.081 . . . . 0.0 107.527 -172.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.41 52.59 0.49 Allowed 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.209 -2.268 . . . . 0.0 109.534 177.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 41.12 56.64 2.99 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 125.535 1.534 . . . . 0.0 109.589 -169.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.34 143.74 14.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.66 0.743 . . . . 0.0 110.818 -157.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mp -72.33 173.47 8.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.526 1.631 . . . . 0.0 113.61 -167.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -82.44 69.98 9.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 112.821 -1.991 . . . . 0.0 109.967 -164.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -57.08 138.54 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 157.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.7 151.03 22.51 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 169.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.8 -61.16 2.43 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 125.35 1.46 . . . . 0.0 109.91 -171.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.62 -38.95 64.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.828 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -33.62 72.32 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 118.983 0.81 . . . . 0.0 109.432 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -70.65 -50.93 31.57 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 103.776 -2.676 . . . . 0.0 103.776 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.1 m -48.61 -57.59 6.0 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 117.879 0.309 . . . . 0.0 111.572 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.93 -42.38 48.29 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.887 1.275 . . . . 0.0 110.839 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.3 m -108.59 51.3 0.75 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.402 1.481 . . . . 0.0 110.971 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -139.93 -51.59 0.5 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.314 1.415 . . . . 0.0 110.977 162.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.39 -35.25 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.807 1.243 . . . . 0.0 111.597 176.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -26.03 -67.25 0.05 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 129.453 3.101 . . . . 0.0 113.46 173.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.2 mm -85.4 -37.38 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 CA--C 1.532 0.254 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 171.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.76 -147.86 0.24 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -162.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -134.15 136.76 44.03 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 165.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.66 178.04 44.92 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -169.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.443 ' CD2' HG23 ' A' ' 56' ' ' ILE . 14.3 m-30 -82.35 104.8 12.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 124.117 0.539 . . . . 0.0 110.146 173.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.23 150.79 33.39 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 m -130.48 163.17 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 165.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -87.36 -163.8 0.99 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.797 1.284 . . . . 0.0 110.738 174.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -65.29 19.48 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 130.054 3.342 . . . . 0.0 113.084 169.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 8' ' ' ASP . 2.6 t -151.21 -31.31 0.17 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.61 53.68 33.63 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 119.351 0.978 . . . . 0.0 112.635 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -103.88 157.14 17.29 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 147.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -109.32 136.23 45.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 123.443 0.697 . . . . 0.0 110.836 -171.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -86.18 93.23 8.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.08 -78.35 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.052 1.741 . . . . 0.0 110.001 169.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.261 19.5 p 59.23 176.47 0.08 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 127.869 2.468 . . . . 0.0 114.083 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -125.38 -53.14 1.6 Allowed 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.0 1.32 . . . . 0.0 109.423 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.62 80.14 7.13 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.42 -0.8 . . . . 0.0 110.316 -171.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -16.31 -55.42 0.01 OUTLIER 'General case' 0 C--O 1.233 0.185 0 C-N-CA 129.711 3.204 . . . . 0.0 115.682 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -37.07 -51.62 0.96 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.337 1.055 . . . . 0.0 111.658 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -46.0 -54.49 8.29 Favored 'General case' 0 C--O 1.23 0.068 0 C-N-CA 124.896 1.279 . . . . 0.0 111.676 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -45.71 80.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -174.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -40.89 62.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.569 0.348 . . . . 0.0 111.041 171.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.05 -53.69 51.99 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 123.927 0.891 . . . . 0.0 109.99 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -59.33 -45.92 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 121.27 0.557 . . . . 0.0 109.965 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.1 m -49.29 -53.94 19.41 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.033 1.733 . . . . 0.0 110.973 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 t -73.6 -41.74 62.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.611 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -56.62 -49.14 75.85 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.769 0.827 . . . . 0.0 111.954 -171.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.81 -54.75 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.365 0 C-N-CA 125.624 1.57 . . . . 0.0 109.349 -169.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -84.51 -19.11 33.78 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 57.95 52.5 7.78 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.168 1.387 . . . . 0.0 111.729 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.5 136.26 35.0 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.19 1.396 . . . . 0.0 108.479 151.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -69.55 -22.89 63.51 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.524 1.13 . . . . 0.0 112.185 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 m -149.61 -171.51 3.91 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.28 176.45 25.78 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 107.697 -2.161 . . . . 0.0 107.697 -169.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.89 172.96 1.6 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.174 0.589 . . . . 0.0 111.014 -177.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.4 m -79.66 83.2 5.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 126.425 1.89 . . . . 0.0 107.378 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -73.2 158.78 34.57 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.616 -0.678 . . . . 0.0 109.206 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.0 mt -21.46 -44.36 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 130.237 3.415 . . . . 0.0 116.288 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.54 33.17 0.5 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.937 0.79 . . . . 0.0 112.438 168.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -166.81 -179.78 4.93 Favored 'General case' 0 C--N 1.339 0.13 0 O-C-N 121.282 -0.886 . . . . 0.0 110.64 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.1 t -107.69 104.28 13.76 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.536 1.134 . . . . 0.0 110.781 -171.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.99 146.86 39.23 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 113.718 -1.583 . . . . 0.0 108.589 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.7 m -140.49 142.92 35.25 Favored 'General case' 0 N--CA 1.422 -1.843 0 O-C-N 125.763 1.914 . . . . 0.0 106.963 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -115.82 119.61 36.57 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 127.321 2.248 . . . . 0.0 108.928 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.67 -6.94 49.29 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 117.383 -1.787 . . . . 0.0 114.716 171.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.576 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -11.35 87.04 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.345 3.058 . . . . 0.0 112.446 170.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.452 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -19.79 -84.41 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 129.294 3.038 . . . . 0.0 112.149 174.442 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.452 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 28.2 t70 -77.83 153.47 32.72 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 141.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.55 -38.21 71.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.899 2.48 . . . . 0.0 112.835 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 55.6 53.51 9.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 127.026 2.13 . . . . 0.0 110.457 -167.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 38.86 64.51 0.77 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 126.948 2.099 . . . . 0.0 111.456 172.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 m -56.64 144.04 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-O 122.073 0.939 . . . . 0.0 111.691 -169.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.96 168.0 8.84 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 123.71 1.719 . . . . 0.0 111.952 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -80.21 71.28 6.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 112.458 -2.156 . . . . 0.0 107.421 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.443 HG23 ' CD2' ' A' ' 5' ' ' TYR . 38.5 pt -66.52 135.41 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -172.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -77.94 149.89 34.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.34 -60.63 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.257 1.027 . . . . 0.0 110.446 -171.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.52 -43.3 55.88 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.054 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.1 p -68.99 -36.55 77.98 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 118.234 -0.888 . . . . 0.0 112.315 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -60.24 -51.0 71.42 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t -53.47 -53.45 51.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.367 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -54.43 -42.67 70.8 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.532 0.733 . . . . 0.0 111.328 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.7 m -110.75 35.34 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.197 1.399 . . . . 0.0 112.735 -169.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -136.29 -51.88 0.71 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.499 1.499 . . . . 0.0 110.973 173.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.9 t -55.59 -29.96 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.244 1.017 . . . . 0.0 111.683 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -27.69 -71.08 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 129.53 3.132 . . . . 0.0 113.074 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.6 mt -87.49 -39.62 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 123.721 0.808 . . . . 0.0 108.929 -175.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 170.381 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.3 mttp . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 121.643 0.735 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.31 -165.35 1.53 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -169.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.519 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 47.4 p-10 -121.76 145.0 48.47 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 119.745 1.157 . . . . 0.0 108.533 164.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.69 167.9 38.57 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -158.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -78.86 100.3 7.13 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.472 0.709 . . . . 0.0 109.389 171.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.9 134.25 45.92 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.461 -175.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.2 m -138.06 159.2 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 163.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.6 -160.38 0.79 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 124.656 1.223 . . . . 0.0 111.383 -177.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -69.72 43.08 0.05 Allowed 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.067 -1.424 . . . . 0.0 111.4 160.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -142.64 -57.58 0.44 Allowed 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.009 -1.057 . . . . 0.0 110.384 166.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.83 34.49 53.04 Favored Glycine 0 C--N 1.334 0.432 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 165.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 18.9 tttp -86.13 149.11 25.35 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 138.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.6 m -61.93 131.36 27.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-O 121.019 0.438 . . . . 0.0 110.958 168.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.2 m -78.15 68.03 4.09 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.711 1.205 . . . . 0.0 108.383 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 3.8 tt0 -46.97 -75.46 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.018 2.527 . . . . 0.0 112.889 -157.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 60.77 166.42 0.08 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.935 1.694 . . . . 0.0 115.062 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.08 -43.33 3.1 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.575 1.55 . . . . 0.0 110.945 166.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.22 80.34 4.64 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.813 -1.18 . . . . 0.0 111.229 -174.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -19.91 -47.93 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.328 3.051 . . . . 0.0 116.357 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -43.36 -46.84 6.67 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.078 0.951 . . . . 0.0 111.964 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -47.43 -55.06 9.73 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.116 0.966 . . . . 0.0 110.488 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -56.14 -52.69 63.44 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -176.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -54.75 -57.24 12.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.153 0.581 . . . . 0.0 109.648 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -48.93 -56.88 7.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.996 1.318 . . . . 0.0 112.348 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.55 -44.63 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.677 0.791 . . . . 0.0 109.618 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -41.54 75.14 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.693 -169.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 t -64.98 -40.62 95.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.607 170.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -58.77 -45.53 89.58 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.587 -0.695 . . . . 0.0 111.444 -175.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.9 t -103.59 -54.42 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 124.605 1.162 . . . . 0.0 110.764 -172.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -89.92 -20.01 23.86 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.449 1.1 . . . . 0.0 111.829 -167.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.318 96.5 m-85 67.76 30.6 6.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.691 1.996 . . . . 0.0 112.285 -174.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.21 133.22 35.99 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 168.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 t -73.23 -30.8 63.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.999 0.92 . . . . 0.0 111.107 -173.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 t -144.11 -163.45 1.68 Allowed 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.015 -0.428 . . . . 0.0 109.868 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.5 -172.18 29.54 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 107.751 -2.14 . . . . 0.0 107.751 -165.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 173.59 165.87 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.518 1.127 . . . . 0.0 108.838 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.6 m -88.67 83.03 6.75 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.2 t -59.2 160.86 5.92 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.692 1.597 . . . . 0.0 109.245 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -7.0 -58.46 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.698 3.199 . . . . 0.0 115.839 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.62 44.1 0.59 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.66 167.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -160.29 169.35 23.36 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 120.93 -1.106 . . . . 0.0 110.01 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.03 105.9 14.42 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.687 0.756 . . . . 0.0 109.989 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.67 154.86 24.67 Favored 'General case' 0 CA--C 1.498 -1.023 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.317 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 92.9 m -142.25 159.94 41.23 Favored 'General case' 0 N--CA 1.419 -1.988 0 C-N-CA 124.862 1.265 . . . . 0.0 108.454 172.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -127.34 106.8 9.46 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 126.307 1.843 . . . . 0.0 109.232 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.81 43.66 1.29 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.498 1.999 . . . . 0.0 111.78 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.544 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 3.5 mp -73.38 72.25 1.31 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 118.941 1.37 . . . . 0.0 109.248 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.03 -50.83 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.083 0.944 . . . . 0.0 109.316 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -45.78 -64.32 0.76 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.326 2.65 . . . . 0.0 113.229 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.3 t0 20.21 78.38 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 127.944 2.497 . . . . 0.0 113.431 -175.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -57.32 -50.02 74.27 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 111.698 -2.501 . . . . 0.0 109.675 172.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -176.67 65.26 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.105 0.962 . . . . 0.0 110.593 -172.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.4 m -52.3 145.74 2.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.567 0.698 . . . . 0.0 111.848 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.7 162.88 25.15 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 123.823 1.773 . . . . 0.0 110.779 175.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -96.78 83.73 3.48 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 111.538 -2.574 . . . . 0.0 105.397 -164.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.28 143.21 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.815 -174.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.09 136.09 35.89 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 170.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -71.72 -49.39 39.74 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.592 -158.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.57 14.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.756 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.2 p -73.25 -25.35 60.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 117.174 -1.393 . . . . 0.0 112.328 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -50.36 73.85 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 121.139 1.791 . . . . 0.0 107.902 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 t -53.72 -53.32 53.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.202 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -55.1 -46.15 75.52 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.748 0.308 . . . . 0.0 111.36 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 89.7 m -107.17 39.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.183 1.393 . . . . 0.0 112.661 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -128.84 -61.96 1.03 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.829 1.195 . . . . 0.0 111.911 171.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.1 t -56.49 -27.04 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.257 1.023 . . . . 0.0 111.864 -175.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -18.3 -63.69 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 130.249 3.42 . . . . 0.0 114.47 175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.75 -29.52 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 122.719 0.407 . . . . 0.0 111.463 -170.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -171.59 143.28 1.72 Allowed 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -159.117 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -46.5 140.92 3.96 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 122.047 0.927 . . . . 0.0 112.628 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.84 168.09 40.21 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -165.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -81.4 116.66 21.33 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.82 142.23 44.22 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 175.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.0 m -145.67 170.07 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 125.054 1.342 . . . . 0.0 107.899 173.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -35.5 -75.04 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.065 2.146 . . . . 0.0 112.379 168.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t 168.46 -48.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 131.152 3.781 . . . . 0.0 104.985 -164.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 t -73.34 -45.23 56.41 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.108 0.963 . . . . 0.0 109.642 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.77 38.65 0.17 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.202 1.382 . . . . 0.0 113.538 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -75.87 78.05 2.78 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.803 -0.822 . . . . 0.0 108.866 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 m -58.01 141.35 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 122.661 0.384 . . . . 0.0 110.95 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.6 m -100.57 136.54 40.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 166.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -126.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 162.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 102.36 159.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 130.008 3.323 . . . . 0.0 112.696 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.7 -42.69 5.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.944 1.298 . . . . 0.0 110.688 169.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.23 76.11 3.03 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.006 -1.059 . . . . 0.0 111.032 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -33.2 -39.28 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 127.872 2.469 . . . . 0.0 114.281 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -39.26 -49.89 1.94 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.755 1.622 . . . . 0.0 112.139 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.58 -53.62 44.15 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.733 0.813 . . . . 0.0 109.854 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.7 t -57.65 -53.77 54.47 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -49.89 -53.85 23.32 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.301 1.44 . . . . 0.0 110.814 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.77 -53.93 50.6 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.967 0.507 . . . . 0.0 112.073 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -58.56 -44.26 88.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.436 0.636 . . . . 0.0 110.052 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.0 m -53.47 -48.44 68.86 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 127.0 2.12 . . . . 0.0 110.272 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.3 p -68.45 -52.88 27.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.037 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -55.82 -53.22 59.34 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.126 1.37 . . . . 0.0 111.651 -164.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.1 t -89.69 -45.55 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.178 0 C-N-CA 124.455 1.102 . . . . 0.0 109.688 -170.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -103.52 -18.43 14.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -165.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.282 8.0 m-85 77.92 20.1 1.04 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.555 1.542 . . . . 0.0 114.21 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 165.76 0.65 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 162.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -99.06 -25.5 14.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.931 1.292 . . . . 0.0 110.874 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 p -157.35 -170.17 3.15 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.322 -0.861 . . . . 0.0 109.562 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.75 167.95 19.45 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 107.228 -2.349 . . . . 0.0 107.228 -171.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -173.54 162.27 4.17 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.091 0.956 . . . . 0.0 109.041 -172.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -88.81 91.83 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.6 m -73.47 179.41 4.05 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -12.02 -60.2 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 130.521 3.529 . . . . 0.0 114.25 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.69 41.41 0.53 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.151 0.58 . . . . 0.0 109.859 168.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -169.64 138.41 1.88 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.56 -0.712 . . . . 0.0 110.563 -162.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 115.86 28.28 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.333 1.053 . . . . 0.0 111.455 -169.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.89 153.97 27.31 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.932 0.893 . . . . 0.0 109.088 172.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.403 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . 57.8 m -134.1 158.05 44.59 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 163.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -118.55 104.44 10.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.124 1.77 . . . . 0.0 108.989 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.59 9.23 72.42 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.764 -0.464 . . . . 0.0 113.457 174.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -42.21 161.4 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.817 0.818 . . . . 0.0 112.241 154.594 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -56.29 161.9 2.31 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 123.66 1.695 . . . . 0.0 109.519 156.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -98.15 -39.0 9.1 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 129.648 3.179 . . . . 0.0 108.895 178.262 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -49.1 -30.81 6.99 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.81 2.044 . . . . 0.0 112.745 -176.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -85.68 57.04 4.24 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 30.52 59.7 0.22 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 128.455 2.702 . . . . 0.0 113.22 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.8 m -62.2 131.96 27.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.222 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.19 166.41 23.5 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.373 1.558 . . . . 0.0 111.708 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -92.28 103.75 16.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 112.032 -2.349 . . . . 0.0 106.627 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.4 pt -79.6 150.26 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -174.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.63 156.77 24.96 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 108.066 -1.086 . . . . 0.0 108.066 -173.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -57.23 -63.38 1.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.808 0.843 . . . . 0.0 110.26 -177.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.16 -40.74 24.8 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.768 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.8 p -72.69 -35.85 67.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 118.162 -0.923 . . . . 0.0 112.469 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -56.47 -53.86 52.48 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 120.575 1.534 . . . . 0.0 109.767 167.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -58.35 -40.85 83.32 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.571 -0.705 . . . . 0.0 112.327 -176.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.27 -51.47 68.04 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.584 0.707 . . . . 0.0 110.113 167.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.72 34.23 5.25 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.346 1.059 . . . . 0.0 113.392 -154.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -123.72 -59.96 1.49 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.73 1.212 . . . . 0.0 109.54 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -49.35 -33.56 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 126.032 1.733 . . . . 0.0 112.094 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -18.25 -69.31 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 129.556 3.142 . . . . 0.0 112.798 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.1 mt -101.78 -38.8 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 125.536 1.535 . . . . 0.0 108.54 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 171.734 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.6 tttm . . . . . 0 CA--C 1.516 -0.352 0 CA-C-O 122.819 1.295 . . . . 0.0 108.646 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -139.45 -158.58 0.87 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 112.419 -2.173 . . . . 0.0 110.025 -146.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.437 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 24.7 p-10 -114.75 150.12 35.85 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 126.659 1.984 . . . . 0.0 106.422 147.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 166.47 36.89 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -163.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -74.92 108.27 7.54 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 165.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.57 144.37 27.94 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.81 160.21 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -90.84 -149.5 0.22 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 168.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -74.45 -4.01 34.11 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.335 1.054 . . . . 0.0 111.545 168.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 p -80.02 -58.78 2.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.384 1.474 . . . . 0.0 109.87 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.05 36.92 69.14 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 125.609 1.576 . . . . 0.0 112.792 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -108.46 107.53 18.11 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 159.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.75 136.64 25.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.07 0.462 . . . . 0.0 110.93 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.6 m -72.99 84.43 1.26 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 171.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -42.78 -71.7 0.08 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.551 1.54 . . . . 0.0 110.882 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.32 145.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.184 2.193 . . . . 0.0 116.351 168.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 pp -97.02 -42.38 7.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.552 1.141 . . . . 0.0 111.742 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.09 70.56 9.04 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 120.862 -1.149 . . . . 0.0 111.19 -171.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -10.96 -61.6 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.78 2.832 . . . . 0.0 116.456 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -43.12 -41.02 3.47 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.658 1.583 . . . . 0.0 112.715 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -39.23 -53.92 1.85 Allowed 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.096 0.958 . . . . 0.0 111.196 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 m -66.81 -52.56 42.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -169.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -43.32 -57.15 3.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.221 1.008 . . . . 0.0 111.678 170.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -54.98 -56.21 22.21 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 124.891 1.276 . . . . 0.0 111.365 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 mm -53.29 -45.46 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.791 0.837 . . . . 0.0 109.282 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -42.03 86.62 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -170.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 t -71.55 -30.34 65.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.937 -0.554 . . . . 0.0 111.026 171.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.43 -49.12 65.09 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.044 0.838 . . . . 0.0 110.671 -175.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.67 -55.24 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 C-N-CA 125.312 1.445 . . . . 0.0 110.404 -168.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -95.0 -19.96 19.75 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.109 0.963 . . . . 0.0 112.44 -169.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.263 39.2 m-85 74.28 33.88 0.86 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.048 1.739 . . . . 0.0 112.797 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.36 132.97 43.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 164.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -69.45 -25.58 64.17 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.349 1.06 . . . . 0.0 111.243 -177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -148.58 -162.17 1.5 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.515 -0.741 . . . . 0.0 110.692 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.58 -178.85 21.44 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 125.942 1.734 . . . . 0.0 109.143 -167.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 172.97 172.31 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 124.833 1.253 . . . . 0.0 108.294 178.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.7 m -81.34 89.7 6.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.05 167.34 12.06 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.592 1.157 . . . . 0.0 108.094 174.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -14.64 -58.32 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 128.7 2.8 . . . . 0.0 115.465 -172.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -150.78 38.54 0.68 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.724 0.81 . . . . 0.0 110.036 174.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.48 172.05 16.11 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.653 -1.279 . . . . 0.0 111.366 -176.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.59 105.35 15.18 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.936 0.874 . . . . 0.0 112.914 -170.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -90.74 154.49 19.5 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.265 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 81.6 m -141.36 161.66 37.36 Favored 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 125.911 1.684 . . . . 0.0 108.406 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -132.74 122.61 24.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.893 2.077 . . . . 0.0 107.095 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.39 36.92 4.72 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.666 1.603 . . . . 0.0 111.877 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.586 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 2.1 mp -70.04 67.55 0.29 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.614 1.566 . . . . 0.0 108.127 175.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.08 -53.44 45.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.367 0.603 . . . . 0.0 109.374 -165.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.84 145.61 50.18 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.239 152.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.04 97.16 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.158 1.783 . . . . 0.0 108.812 -167.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -61.03 -68.02 0.35 Allowed 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 126.792 2.037 . . . . 0.0 109.769 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 176.56 65.25 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.919 1.688 . . . . 0.0 106.649 -170.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 m -63.1 144.69 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.904 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.5 165.42 25.14 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.224 1.488 . . . . 0.0 111.426 -173.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -91.06 86.15 6.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.287 -2.233 . . . . 0.0 108.275 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.7 pt -74.27 154.14 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -174.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -75.82 154.25 36.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -35.63 81.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 122.64 1.21 . . . . 0.0 109.949 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.48 41.2 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.401 -1.272 . . . . 0.0 111.503 168.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -45.53 94.27 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.382 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -47.05 -59.17 3.31 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 119.5 1.045 . . . . 0.0 109.877 174.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -56.4 -52.01 66.2 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.985 0.421 . . . . 0.0 110.954 -177.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -54.12 -40.95 67.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.204 1.002 . . . . 0.0 111.639 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.4 m -117.2 27.89 8.83 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 124.792 1.237 . . . . 0.0 112.14 -164.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -104.01 -67.28 0.9 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 119.918 1.236 . . . . 0.0 110.413 168.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.7 -22.62 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.403 1.081 . . . . 0.0 113.018 -169.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -30.31 -62.82 0.15 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 128.6 2.76 . . . . 0.0 114.185 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.5 mm -64.14 -31.89 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 122.965 0.506 . . . . 0.0 110.996 -174.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mm . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.594 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.79 160.71 28.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.826 1.651 . . . . 0.0 106.634 -165.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -52.63 127.26 22.38 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 122.017 0.913 . . . . 0.0 112.274 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.5 175.23 45.43 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.607 -148.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -79.25 93.55 5.28 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.578 1.151 . . . . 0.0 109.726 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.66 142.74 38.66 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.397 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 m -137.3 136.61 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.2 t70 18.44 -79.94 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.316 2.646 . . . . 0.0 114.056 141.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t 173.81 -41.16 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 131.293 3.837 . . . . 0.0 105.895 -167.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.1 p -109.87 -55.93 2.38 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.659 1.184 . . . . 0.0 110.605 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.68 62.65 0.07 OUTLIER Glycine 0 C--N 1.338 0.682 0 C-N-CA 125.216 1.389 . . . . 0.0 112.785 -174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 66.32 1.59 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 160.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 m -65.72 141.68 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 122.709 0.404 . . . . 0.0 111.409 -172.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.5 m -98.23 133.3 42.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 168.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -120.11 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 162.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 106.17 147.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 130.604 3.562 . . . . 0.0 112.696 173.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -88.94 -40.64 12.91 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.098 0.959 . . . . 0.0 111.619 172.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 66.94 6.21 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.096 -1.003 . . . . 0.0 110.934 -175.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -17.08 -58.21 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 128.827 2.851 . . . . 0.0 115.746 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -33.87 -48.85 0.31 Allowed 'General case' 0 C--O 1.232 0.163 0 C-N-CA 126.994 2.118 . . . . 0.0 112.671 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -40.14 -51.93 2.6 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.771 1.228 . . . . 0.0 111.504 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.83 -44.53 73.28 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -169.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -49.97 65.63 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 171.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.41 -56.75 17.32 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 124.178 0.991 . . . . 0.0 110.461 -174.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 mm -55.59 -46.17 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 123.85 0.86 . . . . 0.0 109.303 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -38.44 91.0 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -171.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.2 t -73.39 -32.09 64.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 119.731 -0.787 . . . . 0.0 111.501 171.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -71.44 -41.42 69.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.248 0.931 . . . . 0.0 111.554 -172.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -108.13 -58.21 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 C-N-CA 126.216 1.807 . . . . 0.0 109.349 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -82.89 -28.47 29.97 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.828 0.851 . . . . 0.0 111.493 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.304 57.6 m-85 69.07 46.34 0.83 Allowed 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 127.182 2.193 . . . . 0.0 112.6 -173.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.9 136.96 34.59 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 162.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -79.15 -5.82 55.09 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -162.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -164.05 -173.59 3.24 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 127.056 2.142 . . . . 0.0 105.689 175.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.36 -178.44 31.17 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 107.259 -2.336 . . . . 0.0 107.259 -171.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 175.48 164.91 0.32 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.497 1.119 . . . . 0.0 108.955 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.0 m -77.06 87.91 3.56 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.0 t -69.69 159.76 32.88 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -6.41 -56.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 130.197 3.399 . . . . 0.0 115.507 175.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.45 38.57 0.55 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 173.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 t -169.77 -174.53 1.87 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 121.467 -0.771 . . . . 0.0 110.778 174.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -107.97 97.98 7.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 123.079 1.418 . . . . 0.0 111.541 -170.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.37 148.2 43.63 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 112.942 -1.935 . . . . 0.0 108.903 175.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.8 m -142.99 164.1 30.98 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 127.243 2.217 . . . . 0.0 106.17 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -127.09 124.31 38.91 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 124.999 1.32 . . . . 0.0 112.579 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.65 43.87 11.37 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.577 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 2.9 mp -61.11 138.02 58.22 Favored 'General case' 0 N--CA 1.428 -1.556 0 C-N-CA 127.769 2.427 . . . . 0.0 109.998 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -61.57 172.47 1.2 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.936 160.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -72.31 -53.87 11.14 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.81 -1.541 . . . . 0.0 108.439 -178.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -36.0 -34.82 0.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.389 2.676 . . . . 0.0 114.01 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -78.38 -2.41 38.16 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.069 -1.02 . . . . 0.0 111.309 -171.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 53.22 60.68 3.59 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 125.981 1.713 . . . . 0.0 111.558 164.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.22 125.45 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.426 -168.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.77 168.03 8.45 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 123.205 1.479 . . . . 0.0 112.117 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -87.02 129.54 34.85 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 112.424 -2.171 . . . . 0.0 107.976 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 pt -131.32 141.92 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 123.064 0.546 . . . . 0.0 112.035 -166.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 143.65 49.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.265 1.026 . . . . 0.0 108.924 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.38 -53.0 62.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.096 0.951 . . . . 0.0 110.383 -173.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.63 -36.43 15.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.971 173.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -40.05 85.66 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 117.435 -1.269 . . . . 0.0 109.075 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 pttm -56.68 -53.73 54.37 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 120.592 1.542 . . . . 0.0 109.512 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -53.49 -57.93 8.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.042 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -52.22 -37.94 56.54 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.923 0.889 . . . . 0.0 111.91 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.3 m -113.87 35.33 4.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.351 1.46 . . . . 0.0 112.161 -172.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.47 -55.87 0.96 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.396 0.998 . . . . 0.0 110.555 170.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.0 t -52.19 -31.81 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.04 1.336 . . . . 0.0 111.209 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -19.53 -66.42 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 128.355 2.662 . . . . 0.0 112.66 165.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -107.22 -33.65 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 C-N-CA 125.038 1.335 . . . . 0.0 108.753 -177.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.95 -158.61 0.88 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -164.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.528 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 46.6 p-10 -126.34 145.24 50.52 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 124.777 1.231 . . . . 0.0 108.588 163.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.94 172.55 42.51 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -156.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -84.24 108.01 16.87 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.522 0.729 . . . . 0.0 110.192 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.31 137.87 33.21 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.3 152.14 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.612 0.765 . . . . 0.0 109.416 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -10.51 -75.86 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.795 2.838 . . . . 0.0 113.716 162.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t 172.58 -47.51 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 130.449 3.5 . . . . 0.0 105.109 -164.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p -86.07 -53.16 5.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.138 0.575 . . . . 0.0 109.978 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.88 34.62 0.05 OUTLIER Glycine 0 CA--C 1.533 1.169 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -76.19 87.73 3.05 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.223 1.512 . . . . 0.0 108.558 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.16 125.98 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.514 0.674 . . . . 0.0 110.728 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.6 m -82.24 62.35 5.91 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.788 0.835 . . . . 0.0 110.917 -174.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 179.72 0.96 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.143 0.429 . . . . 0.0 111.799 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 p 163.63 173.11 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 128.017 2.527 . . . . 0.0 111.129 -173.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -48.38 7.11 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.567 0.747 . . . . 0.0 111.185 162.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.95 73.55 3.54 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.995 -1.065 . . . . 0.0 111.601 -173.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -16.98 -52.72 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.895 2.878 . . . . 0.0 116.578 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -43.52 -39.67 3.52 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.945 1.298 . . . . 0.0 112.781 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.86 -52.9 17.41 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.418 0.687 . . . . 0.0 111.124 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -53.09 62.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -177.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -46.71 -57.23 5.04 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 124.71 1.204 . . . . 0.0 111.038 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -52.32 -56.41 15.03 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.326 1.45 . . . . 0.0 112.024 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.0 mm -55.49 -40.98 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -71.66 -42.78 67.09 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -168.145 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 t -59.97 -45.53 92.39 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 166.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -57.42 -41.85 81.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 117.972 0.351 . . . . 0.0 111.93 -172.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -104.22 -48.82 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 C-N-CA 124.461 1.105 . . . . 0.0 111.394 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -108.01 2.1 22.95 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.663 1.185 . . . . 0.0 112.263 -169.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 73.34 7.22 5.2 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.664 1.186 . . . . 0.0 112.91 176.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.05 127.91 34.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 119.035 0.834 . . . . 0.0 111.457 -174.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -77.23 -22.63 51.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.18 0.992 . . . . 0.0 112.032 -173.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -139.72 -177.31 4.9 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.57 171.88 14.76 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 107.965 -2.054 . . . . 0.0 107.965 -171.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -177.34 164.4 2.13 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.9 m -77.19 93.81 4.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.2 t -70.3 165.54 22.09 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.267 1.427 . . . . 0.0 109.265 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -11.04 -55.9 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 129.689 3.195 . . . . 0.0 115.481 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -152.76 38.55 0.53 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.667 0.787 . . . . 0.0 109.878 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.26 -169.49 1.82 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.906 -1.121 . . . . 0.0 111.593 -175.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.9 t -127.05 105.2 8.43 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.634 0.774 . . . . 0.0 112.812 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -82.66 153.59 25.32 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.612 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.5 m -147.05 154.13 40.82 Favored 'General case' 0 N--CA 1.42 -1.958 0 C-N-CA 125.849 1.66 . . . . 0.0 107.696 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -129.18 123.39 31.94 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.223 1.809 . . . . 0.0 109.157 176.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.42 41.82 8.22 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.199 1.38 . . . . 0.0 111.013 -177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.551 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 3.5 mp -60.64 -179.38 0.12 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 118.199 0.999 . . . . 0.0 109.834 175.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -69.77 176.44 3.62 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 166.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -31.37 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 128.016 2.527 . . . . 0.0 110.895 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -165.26 116.42 1.12 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 145.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -57.63 -60.96 2.88 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 124.084 0.953 . . . . 0.0 108.973 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 167.05 56.88 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 128.364 2.665 . . . . 0.0 107.161 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.0 m -62.59 146.32 12.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 121.256 0.551 . . . . 0.0 110.472 -170.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -69.69 166.45 19.13 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 123.086 1.422 . . . . 0.0 109.525 169.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -131.16 133.57 45.7 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 112.419 -2.173 . . . . 0.0 107.257 -156.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 pt -129.63 141.48 46.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -147.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -59.73 158.85 9.57 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.787 1.635 . . . . 0.0 109.018 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.69 -42.73 67.06 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.877 1.671 . . . . 0.0 111.464 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.4 78.72 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.031 -0.418 . . . . 0.0 110.794 171.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -41.7 80.69 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -47.21 -60.44 2.48 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 125.495 1.518 . . . . 0.0 109.131 172.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.7 t -57.13 -52.89 63.47 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.181 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -53.76 -36.56 62.48 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.974 0.91 . . . . 0.0 112.256 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.7 m -121.91 37.83 4.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.531 1.133 . . . . 0.0 111.782 -170.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -128.59 -59.1 1.16 Allowed 'General case' 0 C--O 1.23 0.077 0 CA-C-N 119.237 0.926 . . . . 0.0 111.577 165.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.24 -30.76 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.256 1.022 . . . . 0.0 111.978 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -21.59 -68.54 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 129.926 3.291 . . . . 0.0 113.923 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.5 mm -85.59 -20.27 8.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.036 -171.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.682 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 121.343 0.592 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.47 134.67 21.68 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 123.655 0.782 . . . . 0.0 109.305 -161.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -59.08 137.87 57.77 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 119.472 1.033 . . . . 0.0 109.704 166.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.1 169.46 40.78 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 -161.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -96.53 101.71 13.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.3 0.64 . . . . 0.0 109.328 -171.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.12 137.62 37.56 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 119.51 -0.281 . . . . 0.0 110.417 -169.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.401 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 29.7 m -104.53 147.21 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.004 0.522 . . . . 0.0 110.809 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 4.4 -78.82 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 128.152 2.581 . . . . 0.0 114.184 153.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t 175.81 -47.2 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 130.433 3.493 . . . . 0.0 104.742 -165.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -96.29 -54.6 3.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.65 1.18 . . . . 0.0 109.649 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 153.64 70.31 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 112.244 -0.342 . . . . 0.0 112.244 -165.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -140.71 148.03 40.12 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 103.897 -2.631 . . . . 0.0 103.897 168.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -131.53 151.41 35.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 CA-C-N 119.109 0.868 . . . . 0.0 109.273 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -79.68 119.89 23.24 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.12 -67.94 0.39 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 172.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p 57.94 175.07 0.06 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.838 2.455 . . . . 0.0 116.46 162.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.76 -47.54 1.53 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.823 1.649 . . . . 0.0 110.821 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.37 117.89 9.97 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.527 -0.733 . . . . 0.0 112.066 -172.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -64.56 -51.41 62.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.523 0.729 . . . . 0.0 111.066 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -52.08 -47.79 65.01 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.819 0.847 . . . . 0.0 110.692 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -48.32 -60.77 2.41 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.211 0.604 . . . . 0.0 110.188 175.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -47.37 86.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -173.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -49.51 -57.55 6.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.594 0.757 . . . . 0.0 112.074 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -52.81 -52.76 55.66 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.267 1.427 . . . . 0.0 111.45 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.2 mm -56.57 -43.97 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.262 0.5 OUTLIER -65.89 -41.91 90.92 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -172.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -66.78 -38.93 87.52 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.052 171.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -57.56 7.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 120.811 -1.181 . . . . 0.0 110.585 -174.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -88.36 -58.58 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 C-N-CA 125.28 1.432 . . . . 0.0 109.039 -167.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -87.4 -20.11 27.15 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.221 1.008 . . . . 0.0 112.368 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.287 92.8 m-85 64.04 49.43 2.74 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 126.143 1.777 . . . . 0.0 111.812 -176.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.62 152.75 22.32 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.617 1.167 . . . . 0.0 109.108 164.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 78.8 p -74.24 -30.4 62.13 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.347 -0.845 . . . . 0.0 110.914 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.0 -165.29 1.8 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.881 -0.58 . . . . 0.0 111.08 175.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.6 171.24 22.57 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 126.721 2.105 . . . . 0.0 108.427 -170.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -174.75 178.98 1.77 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 126.282 1.833 . . . . 0.0 107.127 173.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.8 m -76.93 91.22 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.041 0.937 . . . . 0.0 109.025 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.01 165.73 3.98 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.691 0.797 . . . . 0.0 110.004 168.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -22.61 -51.24 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.183 2.593 . . . . 0.0 114.56 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.45 44.83 0.71 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 168.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -162.84 172.45 15.15 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.084 -1.01 . . . . 0.0 110.525 -176.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.7 t -98.55 102.61 14.4 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 122.389 1.09 . . . . 0.0 110.249 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.87 154.87 40.97 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.205 171.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.5 m -137.3 165.85 25.2 Favored 'General case' 0 N--CA 1.41 -2.426 0 O-C-N 125.105 1.503 . . . . 0.0 107.662 168.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -131.57 137.14 48.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.66 1.984 . . . . 0.0 107.426 174.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.88 43.08 75.84 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.787 0.708 . . . . 0.0 113.887 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.55 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -68.38 73.19 0.22 Allowed 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 128.495 2.718 . . . . 0.0 108.665 176.609 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -47.8 -67.2 0.3 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.489 0.661 . . . . 0.0 110.695 -172.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -71.95 149.37 45.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.578 158.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -138.73 105.8 5.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.897 2.079 . . . . 0.0 107.323 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -52.31 57.92 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 127.241 2.216 . . . . 0.0 108.553 -177.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 167.89 70.07 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 127.962 2.505 . . . . 0.0 107.91 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.61 155.03 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.174 176.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.35 170.63 1.69 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 123.068 1.413 . . . . 0.0 111.119 169.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -117.26 118.37 32.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 127.109 2.164 . . . . 0.0 105.754 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.7 pt -121.46 143.75 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 122.552 0.341 . . . . 0.0 111.248 -155.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.75 146.41 49.45 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.301 0.64 . . . . 0.0 110.304 -178.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.71 -51.74 68.29 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 122.231 1.015 . . . . 0.0 109.822 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.36 -36.54 43.56 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.853 -1.067 . . . . 0.0 112.528 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -41.95 64.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.792 0.724 . . . . 0.0 109.705 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -59.57 4.15 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.2 t -51.85 -52.96 45.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.699 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -50.64 -47.37 58.54 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.813 0.845 . . . . 0.0 110.913 175.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.0 m -84.57 -32.91 23.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 -166.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.71 -54.86 10.19 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.946 0.879 . . . . 0.0 110.058 -166.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.8 t -48.85 -37.17 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 126.102 1.761 . . . . 0.0 112.327 -177.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -36.62 -55.48 0.86 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 127.659 2.384 . . . . 0.0 112.462 -177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.7 mt -102.92 -41.72 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.339 0.117 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 175.727 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.317 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.56 ' HA ' HD11 ' A' ' 47' ' ' LEU . 18.3 p-10 -134.3 143.73 47.9 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.781 1.633 . . . . 0.0 108.206 168.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 169.25 41.28 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 111.519 -0.633 . . . . 0.0 111.519 -167.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -85.83 114.52 22.83 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 122.601 0.36 . . . . 0.0 110.374 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.02 112.6 20.34 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.227 0.611 . . . . 0.0 111.613 -169.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.419 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 35.4 m -115.71 137.75 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.629 1.572 . . . . 0.0 108.343 172.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -74.32 -60.19 2.38 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.34 0.656 . . . . 0.0 111.613 -158.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -141.99 -12.35 0.85 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -163.87 52.22 0.15 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.479 1.036 . . . . 0.0 109.644 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 77.41 -0.97 67.22 Favored Glycine 0 CA--C 1.527 0.803 0 O-C-N 121.664 -0.647 . . . . 0.0 114.053 168.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -73.28 115.66 12.89 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 166.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -55.57 155.23 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.506 0 C-N-CA 123.241 0.616 . . . . 0.0 111.051 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.9 t -70.2 52.18 0.13 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.394 1.078 . . . . 0.0 110.743 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 46.71 -120.65 1.07 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.296 1.838 . . . . 0.0 111.241 173.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.33 1.3 p 111.96 66.54 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 129.503 3.121 . . . . 0.0 111.787 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.07 -34.09 71.56 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 120.751 -1.218 . . . . 0.0 109.279 163.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD12 ' H ' ' A' ' 21' ' ' TYR . 1.1 pp -152.82 153.21 32.65 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.394 0.678 . . . . 0.0 110.333 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -56.9 -48.71 77.56 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.181 0.992 . . . . 0.0 111.775 -171.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -54.01 -39.64 66.27 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 119.533 -0.27 . . . . 0.0 110.882 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.418 ' H ' HD12 ' A' ' 18' ' ' LEU . 48.2 t80 -63.84 -52.59 59.42 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.319 0.648 . . . . 0.0 109.491 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -47.58 -54.41 11.85 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.302 0.572 . . . . 0.0 109.558 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -54.51 36.69 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.022 0.929 . . . . 0.0 110.215 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -53.15 -57.46 10.39 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.126 0.971 . . . . 0.0 112.117 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.3 mm -52.41 -45.14 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 124.962 1.305 . . . . 0.0 109.22 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -37.92 83.88 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -175.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.4 p -63.54 -39.45 94.45 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.268 170.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -67.28 -41.31 85.69 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.868 0.867 . . . . 0.0 112.313 -172.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.98 -36.53 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 C-N-CA 124.725 1.21 . . . . 0.0 111.63 -164.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -104.28 -24.64 13.09 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.092 1.357 . . . . 0.0 111.145 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.306 26.6 m-85 74.34 31.43 1.06 Allowed 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.279 1.832 . . . . 0.0 112.533 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.41 160.53 0.16 Allowed 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.044 0.938 . . . . 0.0 113.259 155.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -87.99 -39.82 14.38 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.854 0.862 . . . . 0.0 108.985 157.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 t -155.27 -160.8 1.09 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-N 119.265 0.939 . . . . 0.0 112.416 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.95 171.28 22.86 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 108.518 -1.833 . . . . 0.0 108.518 -166.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -178.13 174.45 1.35 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.691 0.796 . . . . 0.0 109.028 -173.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 92.5 m -69.41 92.62 0.61 Allowed 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 169.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.63 163.0 28.21 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 162.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -16.21 -54.74 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 129.12 2.968 . . . . 0.0 115.544 -170.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.14 24.6 1.79 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 m -161.83 162.1 29.26 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.022 -1.049 . . . . 0.0 111.048 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 109.79 1.01 Allowed 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 162.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.11 155.87 36.62 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 156.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -140.43 147.17 39.26 Favored 'General case' 0 N--CA 1.414 -2.273 0 O-C-N 124.563 1.164 . . . . 0.0 109.024 162.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -116.17 106.12 13.35 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 128.813 2.845 . . . . 0.0 105.059 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.27 -10.15 9.38 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.958 1.742 . . . . 0.0 114.705 168.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.74 HD12 ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -28.86 108.07 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.546 1.938 . . . . 0.0 109.559 173.645 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.93 -59.25 2.28 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.57 1.948 . . . . 0.0 106.925 -170.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -71.32 157.72 37.6 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.988 157.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' OD1' HG13 ' A' ' 53' ' ' VAL . 15.0 t0 -143.42 97.23 3.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 123.739 1.733 . . . . 0.0 107.148 -178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -56.9 -51.59 68.49 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.358 -2.201 . . . . 0.0 109.249 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 168.45 56.05 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 128.421 2.689 . . . . 0.0 107.357 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.557 HG11 HD22 ' A' ' 47' ' ' LEU . 32.1 m -62.72 140.08 20.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.257 -168.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.62 167.7 20.2 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 123.309 1.528 . . . . 0.0 112.148 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -93.03 105.34 17.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 112.093 -2.321 . . . . 0.0 109.09 -172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.18 137.7 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 122.909 0.484 . . . . 0.0 109.934 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.48 151.07 42.73 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 174.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.45 -57.66 11.35 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.897 0.771 . . . . 0.0 109.214 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.58 30.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.272 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -40.81 63.96 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.897 0.772 . . . . 0.0 110.001 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -58.93 5.9 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 175.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.4 m -51.97 -54.73 26.23 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 125.557 1.543 . . . . 0.0 109.716 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -48.17 -49.38 32.85 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 124.102 0.961 . . . . 0.0 110.859 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.1 m -94.69 20.34 8.74 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.14 0.976 . . . . 0.0 113.113 -172.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.76 -69.28 0.76 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 119.878 1.217 . . . . 0.0 109.133 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.2 t -48.73 -37.47 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 126.355 1.862 . . . . 0.0 111.621 -168.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -24.63 -61.1 0.06 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 128.162 2.585 . . . . 0.0 112.631 166.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.8 mt -116.77 -43.47 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 125.803 1.641 . . . . 0.0 109.664 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.3 mt . . . . . 0 C--N 1.339 0.144 0 C-N-CA 125.028 1.331 . . . . 0.0 108.554 176.78 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -49.12 152.71 1.07 Allowed 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.777 -1.202 . . . . 0.0 110.046 158.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.14 -160.46 17.33 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 108.196 -1.962 . . . . 0.0 108.196 169.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -106.03 126.54 52.32 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 166.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.91 138.36 36.14 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.867 HG11 HD13 ' A' ' 54' ' ' LEU . 16.6 m -124.15 144.61 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 122.952 0.501 . . . . 0.0 111.067 -173.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -77.76 -117.58 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.568 2.347 . . . . 0.0 110.623 -166.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 t -72.39 63.5 0.56 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.281 1.432 . . . . 0.0 108.663 165.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m 85.47 68.1 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.971 1.308 . . . . 0.0 109.226 154.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.425 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 85.36 -4.8 85.07 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 114.386 -1.279 . . . . 0.0 113.574 172.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -68.12 145.49 54.34 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 163.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.423 ' CG1' HG12 ' A' ' 7' ' ' VAL . 23.4 m -143.77 155.71 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.843 1.257 . . . . 0.0 109.291 -176.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.4 m -71.38 108.32 4.76 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 160.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.17 -65.2 0.72 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.999 0.919 . . . . 0.0 109.0 173.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.0 p 56.91 -179.51 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.726 2.41 . . . . 0.0 116.234 160.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.21 -46.53 1.11 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.798 1.639 . . . . 0.0 111.329 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.67 117.59 10.58 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.271 -0.893 . . . . 0.0 112.544 -170.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -61.56 -55.98 24.98 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.262 1.025 . . . . 0.0 111.221 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -53.87 -46.82 71.44 Favored 'General case' 0 N--CA 1.458 -0.056 0 C-N-CA 123.52 0.728 . . . . 0.0 110.944 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -50.04 -56.15 11.92 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.888 0.875 . . . . 0.0 110.475 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -42.77 98.51 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.358 -175.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -42.76 65.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.243 0.617 . . . . 0.0 110.904 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.42 -56.5 21.28 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 121.47 -0.768 . . . . 0.0 110.868 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 mm -59.31 -43.14 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.099 0.476 . . . . 0.0 109.965 -177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 25.2 m -46.07 -60.36 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.367 1.867 . . . . 0.0 110.403 173.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 t -72.72 -24.4 60.98 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.683 1.129 . . . . 0.0 113.551 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -79.74 -52.26 8.17 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 119.56 1.073 . . . . 0.0 112.27 -168.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 t -101.48 -51.77 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 126.243 1.817 . . . . 0.0 107.991 -171.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -80.29 -41.16 25.47 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.252 -167.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.326 28.5 m-85 83.62 51.1 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.181 2.192 . . . . 0.0 111.151 -176.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -78.37 -167.28 1.01 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.461 155.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -112.9 -57.18 2.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.021 1.329 . . . . 0.0 109.488 158.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.78 -162.73 0.83 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.515 1.126 . . . . 0.0 109.988 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.92 178.47 24.88 Favored Glycine 0 C--N 1.342 0.912 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -178.7 170.18 1.61 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.113 1.365 . . . . 0.0 108.721 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 60.3 m -75.84 86.14 2.81 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.2 t -62.87 164.57 7.86 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -7.99 -57.37 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 129.953 3.301 . . . . 0.0 115.204 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.52 39.83 0.57 Allowed 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 170.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -164.56 170.6 15.61 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 120.842 -1.161 . . . . 0.0 112.016 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.58 97.76 11.38 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.867 1.317 . . . . 0.0 112.115 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.42 152.2 44.47 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-N 112.726 -2.034 . . . . 0.0 109.323 164.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.896 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.255 5.0 m -148.78 141.94 25.0 Favored 'General case' 0 N--CA 1.418 -2.052 0 O-C-N 125.649 1.843 . . . . 0.0 106.673 -176.394 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -103.51 143.74 32.33 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 119.358 0.981 . . . . 0.0 109.654 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.55 57.5 9.34 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 124.36 0.981 . . . . 0.0 111.879 174.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.896 HD21 ' HB3' ' A' ' 44' ' ' CYS . 4.2 mt -61.29 126.97 29.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 169.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -96.16 -71.22 0.68 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -62.66 152.81 34.27 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 156.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -139.84 94.61 2.79 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 124.213 1.959 . . . . 0.0 107.079 -169.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -71.84 62.29 0.42 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 112.685 -2.052 . . . . 0.0 108.538 167.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 42.07 70.83 0.25 Allowed 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.98 2.112 . . . . 0.0 111.9 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.726 ' CG1' HD12 ' A' ' 47' ' ' LEU . 15.3 m -52.62 145.61 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.922 0.868 . . . . 0.0 112.955 -170.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.867 HD13 HG11 ' A' ' 7' ' ' VAL . 1.6 tp -63.61 166.96 6.2 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 123.542 1.639 . . . . 0.0 111.194 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 116.37 22.5 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 111.78 -2.464 . . . . 0.0 105.187 -175.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 pt -133.35 148.68 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 -153.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 144.01 25.58 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.56 -51.0 71.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 122.313 1.054 . . . . 0.0 109.853 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.67 50.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.359 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -40.93 66.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -60.96 2.58 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 174.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 t -47.41 -60.66 2.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.29 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -46.16 -44.68 16.11 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.288 1.435 . . . . 0.0 111.583 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.1 m -112.18 27.45 9.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 117.444 -1.265 . . . . 0.0 113.586 -169.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -127.91 -44.43 1.47 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.845 1.657 . . . . 0.0 110.101 173.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.11 -27.19 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 124.64 1.176 . . . . 0.0 112.669 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -43.42 -70.35 0.11 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 127.951 2.5 . . . . 0.0 113.766 -167.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.6 mt -93.38 -62.2 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.3 mt . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 124.844 1.258 . . . . 0.0 111.466 -174.543 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -67.32 143.11 56.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 158.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.05 -175.89 43.81 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -172.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -90.31 133.5 34.92 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 119.459 -0.305 . . . . 0.0 110.485 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -87.65 142.17 28.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.287 0.367 . . . . 0.0 110.285 174.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.414 HG11 HD13 ' A' ' 54' ' ' LEU . 11.3 m -135.31 152.52 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.592 0.757 . . . . 0.0 110.009 168.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.3 -63.64 0.9 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 126.243 1.817 . . . . 0.0 110.986 173.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 t -162.65 -47.01 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 128.251 2.62 . . . . 0.0 108.243 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 t -103.68 -42.48 5.63 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.025 1.33 . . . . 0.0 109.855 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.409 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 112.28 73.79 0.67 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 115.467 0.947 . . . . 0.0 115.467 167.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -72.7 77.71 1.11 Allowed 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 152.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 m -49.5 127.04 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 110.911 -173.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -81.51 53.88 2.21 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.727 0.811 . . . . 0.0 111.227 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -36.46 -84.84 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 128.058 2.543 . . . . 0.0 113.833 -167.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 162.5 0.26 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.052 1.741 . . . . 0.0 113.902 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -106.1 -41.79 5.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.008 1.323 . . . . 0.0 111.84 167.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.92 72.79 3.51 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.852 -1.155 . . . . 0.0 111.784 -176.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -6.77 -64.71 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 129.121 2.969 . . . . 0.0 116.837 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -49.21 -35.2 16.59 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.472 1.109 . . . . 0.0 112.779 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -45.85 -48.87 15.8 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 122.806 0.442 . . . . 0.0 111.384 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.37 -50.38 65.76 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.287 -0.864 . . . . 0.0 109.633 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -44.94 -51.14 10.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.325 1.05 . . . . 0.0 112.279 170.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -55.68 -57.63 11.16 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.626 0.77 . . . . 0.0 111.355 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.11 -37.6 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 123.511 0.724 . . . . 0.0 110.055 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 m -57.2 -51.13 70.57 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 125.553 1.541 . . . . 0.0 109.052 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -42.94 72.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 119.547 -0.861 . . . . 0.0 111.187 176.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -62.61 -52.75 62.13 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.433 -0.792 . . . . 0.0 111.855 -171.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.57 -44.74 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 C-N-CA 126.085 1.754 . . . . 0.0 110.32 -170.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -94.41 -8.63 38.12 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.01 0.924 . . . . 0.0 112.202 -171.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 59.33 33.73 22.59 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.836 0.855 . . . . 0.0 110.696 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.41 148.61 22.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.495 1.518 . . . . 0.0 108.678 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -75.06 -36.71 61.78 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.477 -0.765 . . . . 0.0 111.172 -171.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -145.34 -164.4 1.93 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.579 1.551 . . . . 0.0 107.834 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.25 173.91 23.01 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -174.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.92 169.88 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.688 1.195 . . . . 0.0 108.35 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.0 m -86.75 93.57 9.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -174.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.15 163.95 26.11 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.62 1.568 . . . . 0.0 109.828 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -5.58 -62.37 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 130.548 3.539 . . . . 0.0 114.75 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.29 44.89 0.55 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.801 0.841 . . . . 0.0 109.92 172.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.22 179.79 4.36 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 120.795 -1.191 . . . . 0.0 110.212 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.2 t -114.74 111.0 20.59 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 123.414 0.686 . . . . 0.0 112.209 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.23 144.63 31.45 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.114 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.6 ' CB ' HD21 ' A' ' 47' ' ' LEU . 1.5 m -134.74 141.31 46.45 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -103.89 137.75 41.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 119.543 1.065 . . . . 0.0 108.598 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.05 63.53 4.19 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.6 HD21 ' CB ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -62.39 75.04 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 117.467 0.634 . . . . 0.0 109.765 169.462 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.29 -57.14 11.57 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.973 0.892 . . . . 0.0 110.413 -171.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.33 -52.09 6.01 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.952 2.101 . . . . 0.0 110.688 169.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 t0 69.65 88.66 0.11 Allowed 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 129.772 3.229 . . . . 0.0 109.167 -176.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -67.73 -54.66 17.52 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.828 -169.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 175.14 59.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.955 2.102 . . . . 0.0 105.395 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.76 137.29 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.369 -156.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.414 HD13 HG11 ' A' ' 7' ' ' VAL . 1.4 tp -77.03 171.91 14.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 124.102 1.905 . . . . 0.0 114.302 -161.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -83.11 63.86 7.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 111.841 -2.436 . . . . 0.0 109.616 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pt -54.72 133.5 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.107 0.48 . . . . 0.0 110.718 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.3 147.5 48.04 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.27 -42.74 99.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 123.037 1.399 . . . . 0.0 110.988 -170.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.53 -41.63 77.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.705 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -42.42 68.83 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 118.815 0.734 . . . . 0.0 109.15 -178.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -49.95 -60.35 3.01 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.314 1.446 . . . . 0.0 108.613 173.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -53.07 -55.18 25.82 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.496 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -50.75 -42.81 57.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.921 0.889 . . . . 0.0 111.501 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.1 m -113.02 39.43 2.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.223 1.409 . . . . 0.0 111.862 -169.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -128.88 -55.6 1.2 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.892 1.223 . . . . 0.0 111.465 165.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.88 -29.0 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.663 1.185 . . . . 0.0 111.966 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -19.72 -66.76 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 129.677 3.191 . . . . 0.0 114.029 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mm -85.83 -17.84 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.447 0.699 . . . . 0.0 110.654 -171.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 177.574 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.424 ' HD3' ' H ' ' A' ' 3' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.482 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 22.2 p30 -127.9 158.56 37.47 Favored 'General case' 0 N--CA 1.428 -1.573 0 C-N-CA 127.621 2.369 . . . . 0.0 105.558 158.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.47 175.24 32.28 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 -167.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -79.61 106.6 11.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 124.283 0.637 . . . . 0.0 109.885 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.89 131.08 38.38 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 8.4 m -109.25 142.89 20.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 123.632 0.773 . . . . 0.0 109.717 -175.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -22.18 -109.5 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 131.097 3.759 . . . . 0.0 114.34 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -124.08 36.59 4.59 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.623 1.569 . . . . 0.0 107.042 153.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 t -154.22 -66.36 0.14 Allowed 'General case' 0 C--N 1.343 0.289 0 O-C-N 121.831 -0.543 . . . . 0.0 112.372 -175.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 157.4 -37.57 0.55 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 -161.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -24.27 127.88 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.658 1.183 . . . . 0.0 110.371 143.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.8 m -95.97 -176.78 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.205 1.002 . . . . 0.0 109.971 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 t -139.45 144.16 37.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 162.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -119.92 -175.49 2.98 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.097 1.759 . . . . 0.0 108.562 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.5 p 161.03 -178.16 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 127.951 2.5 . . . . 0.0 109.445 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.81 -41.42 8.46 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.851 1.26 . . . . 0.0 111.418 164.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.96 123.6 22.41 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.387 -0.82 . . . . 0.0 113.205 -169.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -54.59 -44.54 73.09 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.701 -0.624 . . . . 0.0 110.183 163.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -55.67 -44.24 77.09 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.745 1.218 . . . . 0.0 111.802 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -53.56 -53.32 53.38 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -52.09 62.68 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.107 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -42.33 -50.05 5.06 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 120.268 1.394 . . . . 0.0 111.946 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -56.64 -59.34 5.15 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 119.413 -0.327 . . . . 0.0 111.149 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mm -53.9 -56.61 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.14 0.976 . . . . 0.0 110.574 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 21.0 m -36.97 -56.88 0.85 Allowed 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 128.538 2.735 . . . . 0.0 111.339 173.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.11 -31.65 44.28 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.212 -175.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -65.05 -47.98 75.45 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.857 0.863 . . . . 0.0 110.584 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.2 t -106.32 -45.77 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 C-N-CA 124.73 1.212 . . . . 0.0 110.304 -167.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -100.88 -9.69 21.37 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.382 1.073 . . . . 0.0 111.93 -171.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.26 39.9 m-85 64.36 27.87 13.69 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.734 1.614 . . . . 0.0 113.439 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -81.69 143.22 32.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 122.749 0.419 . . . . 0.0 110.919 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -65.16 -43.39 91.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.566 0.698 . . . . 0.0 111.373 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 t -155.96 -164.55 1.73 Allowed 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.511 -0.743 . . . . 0.0 109.936 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.06 176.02 25.12 Favored Glycine 0 C--N 1.332 0.31 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 -154.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -170.53 164.72 8.47 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.3 m -75.14 91.09 2.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.6 t -67.84 165.05 18.32 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.449 1.499 . . . . 0.0 109.133 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -13.59 -57.93 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 129.071 2.948 . . . . 0.0 114.417 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.76 48.5 0.87 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.973 0.416 . . . . 0.0 111.669 170.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 t -168.74 -169.92 1.1 Allowed 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.179 -0.95 . . . . 0.0 109.952 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 t -117.06 107.03 14.03 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 124.558 1.143 . . . . 0.0 110.168 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.92 147.51 45.21 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.504 -1.226 . . . . 0.0 107.983 170.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -135.73 160.32 38.9 Favored 'General case' 0 N--CA 1.426 -1.641 0 C-N-CA 125.946 1.698 . . . . 0.0 108.018 172.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -127.15 23.52 6.47 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.65 1.98 . . . . 0.0 113.882 -172.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.28 49.84 0.2 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 169.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.735 HD12 ' H ' ' A' ' 47' ' ' LEU . 2.8 mp -60.01 163.59 4.61 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 122.248 1.023 . . . . 0.0 109.761 -178.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -67.24 -160.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.435 -1.711 . . . . 0.0 106.89 163.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.56 -171.35 0.12 Allowed 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.742 -0.599 . . . . 0.0 110.738 174.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -83.45 72.04 10.27 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 124.412 2.053 . . . . 0.0 109.515 -172.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 55.4 0.17 Allowed 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 112.682 -2.054 . . . . 0.0 109.738 161.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.2 63.09 2.34 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.272 1.829 . . . . 0.0 111.826 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 m -62.9 137.3 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 167.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.17 169.4 3.52 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 123.224 1.488 . . . . 0.0 111.69 -173.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -100.22 112.89 25.23 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 112.718 -2.037 . . . . 0.0 106.15 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 56' ' ' ILE . 21.1 pt -112.06 145.44 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 123.422 0.689 . . . . 0.0 109.591 -163.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 150.7 40.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -176.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -58.67 -61.72 2.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.969 0.89 . . . . 0.0 110.567 -170.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.73 -41.37 56.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.953 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.1 p -71.55 -31.31 66.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.081 -0.648 . . . . 0.0 112.312 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -65.85 0.57 Allowed 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 105.943 -1.873 . . . . 0.0 105.943 171.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -47.02 -49.16 21.58 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.655 0.782 . . . . 0.0 112.211 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -48.52 -49.75 34.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.415 1.086 . . . . 0.0 111.111 171.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.0 m -102.85 34.82 2.7 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.381 1.872 . . . . 0.0 112.622 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -118.37 -76.99 0.57 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.293 1.037 . . . . 0.0 109.227 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.48 -21.57 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 123.958 0.903 . . . . 0.0 111.458 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -19.98 -64.85 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 130.331 3.452 . . . . 0.0 114.86 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.34 -14.87 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.367 0.667 . . . . 0.0 111.688 -169.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.4 mt . . . . . 0 CA--C 1.532 0.257 0 O-C-N 121.055 -1.028 . . . . 0.0 108.478 -179.559 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.403 ' CB ' ' HA ' ' A' ' 45' ' ' PHE . 42.1 p-10 -73.01 147.21 45.34 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 153.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.88 -161.51 32.79 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 107.09 -2.404 . . . . 0.0 107.09 -159.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.4 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 9.4 m-30 -102.57 139.17 38.51 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 117.217 0.509 . . . . 0.0 110.56 175.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.85 130.52 42.77 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.708 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.501 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 3.6 m -113.04 147.94 16.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 O-C-N 123.102 0.251 . . . . 0.0 110.699 167.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -15.27 -76.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 128.966 2.906 . . . . 0.0 113.124 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 164.38 -44.3 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 130.834 3.654 . . . . 0.0 105.405 -164.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 p -95.53 19.19 11.38 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.772 2.029 . . . . 0.0 110.609 172.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.501 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 77.79 35.58 35.29 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.272 0.939 . . . . 0.0 114.442 162.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.2 127.0 55.46 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.08 151.55 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.8 t -67.59 137.62 55.81 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 166.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -46.08 -64.91 0.63 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.922 1.689 . . . . 0.0 110.129 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.286 0.7 OUTLIER 73.58 99.89 0.07 Allowed 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 127.025 2.13 . . . . 0.0 112.263 -178.875 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.71 -35.41 75.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.917 172.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 21' ' ' TYR . 1.1 pp -159.37 160.73 35.31 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.771 0.796 . . . . 0.0 111.49 -172.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -62.55 -46.98 85.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.373 1.069 . . . . 0.0 111.957 -170.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -55.68 -48.05 75.73 Favored 'General case' 0 CA--C 1.526 0.055 0 CA-C-O 119.691 -0.195 . . . . 0.0 110.595 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.497 ' H ' HD12 ' A' ' 18' ' ' LEU . 5.7 t80 -53.23 -53.63 47.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.5 t -53.09 -57.81 9.15 Favored 'General case' 0 C--O 1.225 -0.218 0 O-C-N 123.062 0.226 . . . . 0.0 110.779 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -50.36 -56.15 12.57 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.425 1.49 . . . . 0.0 111.453 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -51.86 -54.4 29.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 124.458 1.103 . . . . 0.0 111.423 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 mm -55.26 -46.1 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 123.814 0.846 . . . . 0.0 109.254 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.365 0.1 OUTLIER -67.13 -37.87 84.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -170.159 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.1 t -70.45 -37.83 74.39 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.607 167.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -66.16 -41.74 89.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 119.346 0.975 . . . . 0.0 110.852 -170.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -98.04 -62.9 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.338 0 C-N-CA 125.648 1.579 . . . . 0.0 108.262 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -90.07 -4.93 57.08 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.446 0.698 . . . . 0.0 112.838 -164.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 52.38 37.19 21.87 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 124.862 1.265 . . . . 0.0 111.9 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.42 140.88 44.99 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 167.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -76.22 -5.66 47.84 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.611 -0.681 . . . . 0.0 112.734 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.0 -165.47 0.24 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.992 1.317 . . . . 0.0 108.783 174.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.84 169.27 22.04 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 127.219 2.342 . . . . 0.0 107.629 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -175.17 169.2 3.32 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.314 1.446 . . . . 0.0 109.267 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.75 89.66 2.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.241 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.91 163.04 12.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 160.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.617 ' CD1' HG22 ' A' ' 60' ' ' THR . 8.4 mt -22.98 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 128.916 2.886 . . . . 0.0 116.352 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -149.59 32.96 0.7 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.743 0.701 . . . . 0.0 111.483 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.31 168.0 15.46 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 121.076 -1.015 . . . . 0.0 112.902 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.08 102.58 10.32 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.386 1.074 . . . . 0.0 110.559 169.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -59.99 151.35 26.52 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 113.932 -1.485 . . . . 0.0 107.814 151.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' CB ' HD21 ' A' ' 47' ' ' LEU . 16.5 m -157.55 131.64 8.22 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 -171.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.403 ' HA ' ' CB ' ' A' ' 3' ' ' ASN . 40.4 m-85 -100.34 128.91 46.29 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 119.034 0.834 . . . . 0.0 111.892 -169.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.85 61.17 7.1 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.519 HD21 ' CB ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -58.89 120.82 9.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -175.451 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -83.7 -57.37 3.25 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -48.11 -47.0 34.66 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.819 172.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.479 ' OD1' HG13 ' A' ' 53' ' ' VAL . 66.9 t0 45.44 81.46 0.04 OUTLIER 'General case' 0 C--N 1.341 0.239 0 CA-C-O 124.686 2.184 . . . . 0.0 110.681 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -75.46 71.32 2.4 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 111.645 -2.525 . . . . 0.0 108.889 161.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.95 57.52 6.46 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.749 1.22 . . . . 0.0 110.983 166.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.479 HG13 ' OD1' ' A' ' 50' ' ' ASP . 10.1 m -38.06 128.67 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 O-C-N 124.564 1.165 . . . . 0.0 112.015 -162.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.403 HD13 ' CG1' ' A' ' 7' ' ' VAL . 1.1 tp -65.12 170.51 4.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 123.594 1.664 . . . . 0.0 112.597 -171.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.64 121.91 44.53 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 111.696 -2.502 . . . . 0.0 107.673 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.24 150.23 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.859 1.664 . . . . 0.0 108.19 -172.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' NZ ' HG21 ' A' ' 60' ' ' THR . 1.5 mtmt -73.2 154.97 40.05 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 175.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.86 -43.58 83.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 122.877 1.323 . . . . 0.0 110.488 -169.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.5 72.67 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.588 171.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.617 HG22 ' CD1' ' A' ' 39' ' ' LEU . 59.7 p -69.27 -41.27 77.09 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 118.687 0.676 . . . . 0.0 111.522 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -49.5 -59.81 3.41 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 t -51.17 -56.15 14.27 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.407 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -50.01 -43.86 50.91 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.736 0.814 . . . . 0.0 110.908 176.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.2 m -106.72 34.35 3.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.071 1.348 . . . . 0.0 112.214 -169.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -125.7 -59.63 1.35 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.93 1.241 . . . . 0.0 112.072 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.17 -24.27 23.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.765 1.226 . . . . 0.0 112.089 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -20.43 -67.61 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 129.527 3.131 . . . . 0.0 113.591 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mm -89.71 -47.28 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.566 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.816 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -35.65 117.19 0.42 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.36 1.464 . . . . 0.0 110.585 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 -159.18 7.87 Favored Glycine 0 N--CA 1.459 0.185 0 N-CA-C 108.042 -2.023 . . . . 0.0 108.042 -166.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.02 156.34 24.27 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.047 154.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.465 ' HB1' ' CZ ' ' A' ' 30' ' ' TYR . . . -86.15 139.54 30.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.789 176.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 m -137.08 143.67 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 149.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -158.05 0.37 Allowed 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.115 0.884 . . . . 0.0 111.175 -172.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t -72.91 48.54 0.21 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.526 -1.216 . . . . 0.0 109.244 154.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -165.87 -53.77 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.368 1.067 . . . . 0.0 109.687 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.32 31.88 66.97 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 123.502 0.572 . . . . 0.0 113.445 -171.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.28 81.59 0.09 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 157.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 m -46.81 121.95 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 122.006 0.908 . . . . 0.0 112.054 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.8 m -78.08 75.62 4.61 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -47.59 -62.39 1.47 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.814 1.245 . . . . 0.0 109.374 169.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.3 p 56.94 178.4 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.753 2.421 . . . . 0.0 115.577 169.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -50.2 0.95 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.503 1.521 . . . . 0.0 110.029 173.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.97 75.05 5.49 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.076 -1.015 . . . . 0.0 111.72 -171.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -18.79 -50.62 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.831 2.852 . . . . 0.0 116.293 174.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -48.34 -47.72 36.79 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.846 1.258 . . . . 0.0 111.424 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.59 -50.51 69.92 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.922 0.889 . . . . 0.0 109.749 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.29 -53.37 58.08 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.041 0.448 . . . . 0.0 109.802 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -47.46 65.29 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.719 1.208 . . . . 0.0 110.015 176.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.73 -56.17 24.91 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 121.791 -0.568 . . . . 0.0 111.836 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.9 mm -53.56 -50.93 46.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.987 0.915 . . . . 0.0 109.888 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 7.0 m -46.22 -50.92 15.25 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.569 1.947 . . . . 0.0 110.655 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -76.66 -31.67 57.45 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.644 -1.285 . . . . 0.0 112.751 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -46.18 63.42 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.225 -0.922 . . . . 0.0 110.702 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 t -105.16 -53.2 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 C-N-CA 125.485 1.514 . . . . 0.0 109.294 -172.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.465 ' CZ ' ' HB1' ' A' ' 6' ' ' ALA . 98.2 m-85 -75.96 -45.21 36.1 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.174 -167.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.306 21.3 m-85 82.97 31.85 0.08 Allowed 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 126.341 1.856 . . . . 0.0 111.037 -171.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -50.71 162.17 0.28 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.994 144.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 t -92.31 -22.31 19.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.783 0.833 . . . . 0.0 111.912 164.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -167.48 -157.11 0.22 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.33 174.29 31.0 Favored Glycine 0 C--N 1.338 0.653 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 -170.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.45 172.43 7.1 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.447 1.099 . . . . 0.0 109.533 177.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.0 m -76.73 89.46 3.39 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 125.835 1.654 . . . . 0.0 108.98 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.5 t -83.89 163.67 19.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.792 1.237 . . . . 0.0 109.733 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -39.67 -21.49 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 129.892 3.277 . . . . 0.0 117.557 -167.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.02 22.1 0.37 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.087 1.312 . . . . 0.0 113.658 166.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -173.44 -173.81 0.93 Allowed 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.038 -1.039 . . . . 0.0 109.854 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 104.58 17.15 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 125.354 1.461 . . . . 0.0 109.987 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.13 147.89 28.46 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-N 114.559 -1.201 . . . . 0.0 109.294 161.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.737 ' CB ' HD21 ' A' ' 47' ' ' LEU . 17.0 m -136.48 117.77 14.59 Favored 'General case' 0 N--CA 1.413 -2.317 0 O-C-N 125.659 1.849 . . . . 0.0 106.41 172.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -75.32 151.42 38.28 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.054 0.942 . . . . 0.0 109.826 170.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.52 48.9 27.77 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 124.762 1.172 . . . . 0.0 112.234 172.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.737 HD21 ' CB ' ' A' ' 44' ' ' CYS . 49.8 mt -63.18 146.89 52.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 163.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -133.16 -51.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.833 0.853 . . . . 0.0 110.024 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -62.39 165.28 6.24 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.607 157.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -143.34 100.98 3.72 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 170.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -56.01 7.56 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.818 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -177.91 57.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.254 2.222 . . . . 0.0 107.045 170.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.585 HG11 HD13 ' A' ' 47' ' ' LEU . 20.0 m -60.17 151.09 5.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.125 0.488 . . . . 0.0 110.125 -168.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.6 161.13 31.27 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 123.513 1.625 . . . . 0.0 110.87 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -124.8 70.46 1.14 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 111.617 -2.538 . . . . 0.0 105.946 -157.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 pt -90.06 157.8 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.849 -150.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -61.69 145.08 53.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.373 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 2.6 m-20 -62.18 -39.81 93.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.524 2.33 . . . . 0.0 110.929 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.13 -60.98 2.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.756 166.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -38.48 80.86 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 58' ' ' ASP . 9.6 mttt -48.68 -55.01 12.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.825 0.739 . . . . 0.0 110.583 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.3 t -63.21 -56.55 15.69 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.343 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -51.63 -30.69 22.39 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 126.471 1.909 . . . . 0.0 112.22 -175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.4 m -120.83 33.23 5.64 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.745 -1.121 . . . . 0.0 111.035 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -137.71 -51.37 0.62 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.154 1.343 . . . . 0.0 111.585 164.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.71 -35.3 13.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.679 1.192 . . . . 0.0 110.824 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -20.35 -66.54 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 128.69 2.796 . . . . 0.0 113.045 165.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.1 mt -100.41 -40.66 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.6 mm . . . . . 0 C--O 1.231 0.117 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.137 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.447 ' CB ' ' HA ' ' A' ' 45' ' ' PHE . 12.0 p-10 -65.04 108.08 1.71 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.002 -1.061 . . . . 0.0 108.804 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.6 -167.6 16.51 Favored Glycine 0 CA--C 1.522 0.485 0 C-N-CA 126.02 1.771 . . . . 0.0 109.166 -166.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -106.36 147.28 29.42 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 118.803 -1.159 . . . . 0.0 108.37 146.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.85 137.44 40.15 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 125.221 1.576 . . . . 0.0 109.517 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.531 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -102.64 161.99 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.223 0.609 . . . . 0.0 110.07 165.303 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -52.03 168.48 0.09 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.759 1.223 . . . . 0.0 111.051 165.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -52.31 -20.7 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.652 -1.613 . . . . 0.0 112.536 169.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 p -125.79 31.98 5.38 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.674 1.124 . . . . 0.0 111.707 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.531 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 78.55 42.65 13.6 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 114.275 0.47 . . . . 0.0 114.275 157.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -123.64 131.7 53.68 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.608 0.763 . . . . 0.0 109.538 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 m -76.22 136.33 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 122.994 0.518 . . . . 0.0 110.152 -176.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -82.9 68.94 9.59 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 177.49 2.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.007 0.432 . . . . 0.0 110.828 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.7 p 160.96 174.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 126.847 2.059 . . . . 0.0 111.167 -162.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.12 -42.14 9.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.919 0.888 . . . . 0.0 111.156 162.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.69 117.03 12.75 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.351 -0.843 . . . . 0.0 113.156 -168.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -48.96 -51.4 30.59 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.18 0.992 . . . . 0.0 110.999 170.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -56.47 -49.88 73.37 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.704 0.801 . . . . 0.0 110.497 -174.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -49.92 -60.0 3.33 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.043 0.937 . . . . 0.0 110.247 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -51.48 -53.8 33.63 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.451 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -49.45 75.69 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -176.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -52.64 -53.23 49.92 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 124.561 1.144 . . . . 0.0 110.795 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.9 mm -60.6 -48.34 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.267 0.627 . . . . 0.0 109.896 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -37.09 85.83 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.92 -168.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.7 t -76.04 -47.58 24.2 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 123.324 0.39 . . . . 0.0 111.204 169.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -52.6 -52.5 55.05 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.875 0.87 . . . . 0.0 110.786 -170.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 t -89.26 -60.25 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 C-N-CA 124.268 1.027 . . . . 0.0 108.591 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.48 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -109.64 17.64 21.1 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.382 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 p90 54.65 36.42 26.02 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 159.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HB2' ' CD2' ' A' ' 47' ' ' LEU . . . -62.71 -173.68 0.05 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.561 0.344 . . . . 0.0 110.119 147.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.9 p -108.01 -93.1 0.41 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.433 1.093 . . . . 0.0 108.798 168.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -83.45 -164.84 0.96 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.014 1.326 . . . . 0.0 109.328 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.16 170.51 16.87 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 -174.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -175.07 160.4 2.75 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.033 1.733 . . . . 0.0 108.766 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.0 m -75.37 88.5 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.69 168.89 4.43 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.921 1.289 . . . . 0.0 108.561 169.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 tp 0.44 -64.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 130.529 3.532 . . . . 0.0 115.349 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.38 39.36 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.707 1.203 . . . . 0.0 110.249 173.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 m -161.74 153.51 19.04 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.193 -0.942 . . . . 0.0 110.673 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.8 t -86.54 103.68 15.28 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.942 0.877 . . . . 0.0 110.906 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.85 150.31 48.78 Favored 'General case' 0 CA--C 1.495 -1.158 0 C-N-CA 126.422 1.889 . . . . 0.0 108.715 169.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.961 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.265 23.6 m -158.62 110.47 2.21 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -157.507 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' HA ' ' CB ' ' A' ' 3' ' ' ASN . 24.8 m-85 -83.55 141.09 31.84 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 123.188 0.305 . . . . 0.0 110.639 -168.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.44 61.3 5.16 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 124.241 0.924 . . . . 0.0 111.905 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.961 HD21 ' HB3' ' A' ' 44' ' ' CYS . 1.8 mt -63.4 116.12 5.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 163.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -92.12 -76.26 0.46 Allowed 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.05 149.89 2.58 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 153.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.95 85.33 2.36 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 129.257 3.023 . . . . 0.0 106.569 -163.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.61 ' CD ' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -83.34 56.73 3.67 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 126.534 1.934 . . . . 0.0 107.4 -175.274 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 38.25 55.95 1.74 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.83 1.652 . . . . 0.0 109.865 -166.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.91 144.98 8.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 CA-C-O 121.313 0.578 . . . . 0.0 109.727 -166.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.22 164.6 26.45 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 124.167 1.937 . . . . 0.0 114.243 -162.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -83.47 66.61 8.98 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 111.846 -2.433 . . . . 0.0 107.579 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.49 134.9 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.118 -176.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.558 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -91.08 146.84 23.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -172.559 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.79 -41.86 91.46 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 125.528 1.531 . . . . 0.0 110.84 -168.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.42 -54.11 36.4 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.078 166.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.3 p -68.01 -30.53 69.8 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.15 -1.02 . . . . 0.0 112.529 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -54.21 -58.0 9.05 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.011 1.325 . . . . 0.0 107.856 173.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -63.25 -48.4 78.35 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 119.087 -1.045 . . . . 0.0 110.987 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -49.55 -42.36 43.92 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 123.609 0.764 . . . . 0.0 111.123 176.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 59.7 m -125.34 52.59 1.6 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.916 1.286 . . . . 0.0 111.134 -167.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -139.59 -60.57 0.55 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.445 0.641 . . . . 0.0 110.818 164.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -45.78 -37.54 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.238 1.815 . . . . 0.0 111.456 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -22.48 -63.16 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 128.292 2.637 . . . . 0.0 112.918 168.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.9 mt -106.65 -35.53 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 C-N-CA 124.388 1.075 . . . . 0.0 108.55 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 C--N 1.34 0.191 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 168.727 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.461 ' HA ' HD11 ' A' ' 47' ' ' LEU . 8.7 m-20 -125.2 152.74 44.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.513 1.052 . . . . 0.0 109.502 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.56 168.38 40.75 Favored Glycine 0 CA--C 1.52 0.345 0 O-C-N 121.206 -0.934 . . . . 0.0 110.801 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -86.13 108.29 18.24 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 171.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.03 137.28 40.13 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -172.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 m -143.1 159.48 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 166.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -160.0 0.38 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.511 0.672 . . . . 0.0 109.742 172.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -74.51 47.79 0.32 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.006 154.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -135.2 -58.6 0.79 Allowed 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.905 1.282 . . . . 0.0 108.589 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.69 64.56 3.36 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 122.349 0.971 . . . . 0.0 110.923 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.63 147.05 52.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 104.533 -2.395 . . . . 0.0 104.533 154.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -75.21 126.75 36.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 121.163 0.506 . . . . 0.0 111.088 -167.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 m -75.39 64.04 1.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.376 0.67 . . . . 0.0 109.309 170.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 177.82 1.11 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 168.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.5 p 155.15 169.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.272 1.829 . . . . 0.0 110.731 -162.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.96 -37.55 5.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.881 1.272 . . . . 0.0 110.012 158.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.07 80.17 2.91 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.116 -0.99 . . . . 0.0 110.943 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -27.06 -45.98 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.477 2.311 . . . . 0.0 114.635 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -41.84 -48.7 4.41 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.2 1.4 . . . . 0.0 112.88 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.42 -56.3 22.88 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.621 0.646 . . . . 0.0 109.985 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.13 -55.37 21.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.733 0.813 . . . . 0.0 109.203 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -51.68 -56.42 13.78 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 123.788 0.835 . . . . 0.0 111.908 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -49.86 -54.8 17.22 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.276 1.431 . . . . 0.0 111.787 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.47 -47.38 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.636 0.731 . . . . 0.0 109.764 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.85 -40.07 91.38 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.465 -169.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -71.9 -42.28 66.94 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 172.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -53.76 -50.44 66.02 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 123.576 0.75 . . . . 0.0 111.293 -175.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.6 t -98.64 -50.5 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 123.816 0.847 . . . . 0.0 110.722 -171.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -103.17 -7.49 21.2 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 124.259 1.024 . . . . 0.0 112.716 -168.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.323 60.9 m-85 65.95 33.14 8.03 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.64 179.08 0.26 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.717 0.77 . . . . 0.0 112.705 157.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.8 p -129.79 -83.76 0.55 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.771 2.428 . . . . 0.0 107.22 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 m -77.49 171.27 15.16 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 167.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.95 156.3 8.3 Favored Glycine 0 C--N 1.33 0.225 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 -167.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -179.9 176.64 0.73 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -158.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 m -76.09 97.23 4.02 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 174.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.67 160.29 23.76 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 169.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -9.05 -62.07 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 129.992 3.317 . . . . 0.0 114.977 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.46 5.76 3.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.971 1.308 . . . . 0.0 112.857 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -163.54 -175.69 4.31 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 121.239 -0.913 . . . . 0.0 111.425 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.7 t -109.65 108.76 19.28 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 124.351 1.061 . . . . 0.0 111.61 -162.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -92.62 153.57 18.92 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.984 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.5 m -149.63 150.36 32.05 Favored 'General case' 0 N--CA 1.418 -2.061 0 O-C-N 125.211 1.569 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -128.36 122.49 31.61 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 128.123 2.569 . . . . 0.0 105.056 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.82 -14.63 37.92 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 117.362 -1.799 . . . . 0.0 113.453 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -32.8 101.44 0.02 OUTLIER 'General case' 0 C--N 1.35 0.621 0 C-N-CA 125.949 1.699 . . . . 0.0 110.366 175.551 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.55 -49.81 73.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.983 1.313 . . . . 0.0 109.253 -168.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -101.72 159.75 15.05 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 112.727 -2.033 . . . . 0.0 108.229 160.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -122.11 33.12 5.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.814 1.646 . . . . 0.0 110.658 -166.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -10.57 -64.88 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.129 1 C-N-CA 131.726 4.01 . . . . 0.0 114.216 -156.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.51 54.05 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.152 -1.386 . . . . 0.0 107.449 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 m -55.06 144.66 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-O 121.967 0.889 . . . . 0.0 112.408 -169.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.73 167.37 20.03 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 123.025 1.393 . . . . 0.0 109.43 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.32 132.98 43.35 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 112.823 -1.989 . . . . 0.0 109.765 -175.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -98.88 138.05 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 124.646 1.179 . . . . 0.0 108.969 178.251 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -71.64 147.08 47.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 168.849 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -40.31 95.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 122.924 1.345 . . . . 0.0 111.032 -168.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.66 82.68 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.765 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -41.77 68.0 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 118.89 0.768 . . . . 0.0 109.486 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -50.03 -61.07 2.36 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 125.32 1.448 . . . . 0.0 108.429 172.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -53.21 -54.83 30.31 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.587 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -49.0 -43.53 40.32 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 124.332 1.053 . . . . 0.0 111.153 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 91.1 m -109.64 40.09 1.96 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 112.216 -172.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -133.79 -53.53 0.87 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.582 1.537 . . . . 0.0 110.979 167.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.6 t -48.79 -31.94 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.003 1.321 . . . . 0.0 111.782 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -17.39 -61.08 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 129.641 3.176 . . . . 0.0 114.559 170.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.9 mm -67.78 -27.1 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 122.615 0.366 . . . . 0.0 111.65 -170.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.3 mt . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.731 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.18 150.97 2.2 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.641 1.176 . . . . 0.0 110.236 167.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 -137.43 2.27 Favored Glycine 0 C--N 1.328 0.091 0 N-CA-C 107.721 -2.152 . . . . 0.0 107.721 156.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -111.43 135.48 51.93 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 118.647 1.224 . . . . 0.0 112.154 160.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.559 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -72.88 130.63 40.85 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 124.312 1.008 . . . . 0.0 109.311 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.526 HG11 HD13 ' A' ' 54' ' ' LEU . 27.9 m -138.22 153.05 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 160.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -93.72 -152.97 0.35 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.057 0.456 . . . . 0.0 111.617 -169.679 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -68.83 48.12 0.06 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.91 149.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 8' ' ' ASP . 65.4 p -141.09 -49.48 0.42 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 127.087 2.155 . . . . 0.0 109.697 175.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.52 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 82.33 12.09 81.14 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.932 1.253 . . . . 0.0 111.52 -165.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -91.5 132.24 36.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.094 0.947 . . . . 0.0 109.658 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.69 160.56 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.074 0.95 . . . . 0.0 109.422 168.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -86.25 127.56 34.78 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 158.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -70.18 -71.16 0.25 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.163 0.985 . . . . 0.0 108.494 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.4 p 59.77 178.31 0.09 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 127.599 2.359 . . . . 0.0 116.042 160.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.85 -43.98 1.21 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.83 1.652 . . . . 0.0 111.653 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.89 116.43 11.18 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.108 -0.995 . . . . 0.0 112.986 -172.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -60.25 -53.82 53.1 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.894 0.877 . . . . 0.0 110.403 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -43.63 82.46 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.209 0.604 . . . . 0.0 110.683 -175.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -51.3 -55.46 18.2 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -50.76 72.52 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.458 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -44.1 -49.44 8.9 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.026 1.331 . . . . 0.0 111.415 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.94 -51.2 70.26 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 121.827 -0.546 . . . . 0.0 111.191 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.8 mm -56.52 -54.0 33.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.581 1.153 . . . . 0.0 110.179 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 13.7 m -42.06 -55.86 3.04 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 128.505 2.722 . . . . 0.0 110.369 176.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 t -75.11 -33.23 61.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.053 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -52.51 -53.07 50.99 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 124.012 0.925 . . . . 0.0 112.289 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -115.39 -44.34 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 123.654 0.781 . . . . 0.0 110.253 -165.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CD1' ' HB1' ' A' ' 6' ' ' ALA . 14.4 m-85 -89.0 -2.68 58.7 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.03 1.332 . . . . 0.0 111.388 -174.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.291 85.6 m-85 47.89 37.6 7.68 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.575 1.55 . . . . 0.0 112.226 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -61.54 173.34 0.97 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.839 0.828 . . . . 0.0 110.28 162.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -97.07 -91.22 0.25 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 166.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 m -85.73 -167.42 1.84 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.824 1.25 . . . . 0.0 110.346 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.22 170.31 15.38 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -173.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -176.51 168.98 2.67 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.83 1.252 . . . . 0.0 109.167 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -76.55 89.06 3.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.3 t -59.47 159.43 8.19 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 168.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -9.7 -57.19 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.28 3.032 . . . . 0.0 115.572 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.41 47.47 0.75 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.018 0.437 . . . . 0.0 110.73 168.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -162.06 170.21 19.62 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 120.923 -1.11 . . . . 0.0 110.381 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 t -103.0 95.73 6.33 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 122.023 0.916 . . . . 0.0 111.334 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.9 145.61 56.06 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-N 113.425 -1.716 . . . . 0.0 109.42 172.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.788 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.281 16.3 m -146.59 137.8 24.3 Favored 'General case' 0 N--CA 1.418 -2.065 0 O-C-N 126.049 2.093 . . . . 0.0 105.698 -174.709 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -103.71 134.01 47.75 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.249 0.931 . . . . 0.0 109.914 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.46 60.75 8.08 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 44' ' ' CYS . 3.7 mt -56.98 129.77 43.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 170.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -108.52 -62.45 1.46 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -169.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.405 ' CG ' ' HZ3' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -47.41 -61.85 1.72 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.526 -1.215 . . . . 0.0 107.762 157.529 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.2 t0 44.57 62.13 2.17 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 123.354 1.549 . . . . 0.0 109.227 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' H ' ' HD2' ' A' ' 51' ' ' LYS 0.282 0.0 OUTLIER -60.12 -31.74 70.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.741 -175.315 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.94 109.14 0.11 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.512 1.525 . . . . 0.0 108.431 154.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.488 ' CG1' HD12 ' A' ' 47' ' ' LEU . 9.9 m -53.43 149.75 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 119.889 1.222 . . . . 0.0 109.39 166.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.526 HD13 HG11 ' A' ' 7' ' ' VAL . 2.5 tp -67.09 166.46 13.82 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 123.929 1.823 . . . . 0.0 112.407 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.25 71.78 10.2 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 111.658 -2.519 . . . . 0.0 107.265 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.27 147.27 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.235 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.594 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -88.57 137.21 32.52 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 176.335 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.96 -45.17 86.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.96 1.362 . . . . 0.0 111.827 -159.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.1 77.66 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.748 172.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.1 p -72.75 -36.08 67.62 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 118.582 -1.247 . . . . 0.0 111.85 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -49.7 -58.62 4.94 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 125.45 1.5 . . . . 0.0 108.686 169.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.3 m -55.24 -51.92 65.07 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.788 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -53.44 -42.64 67.34 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.058 0.543 . . . . 0.0 111.417 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.9 m -106.28 29.15 7.06 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 125.107 1.363 . . . . 0.0 113.016 -168.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -124.86 -52.25 1.68 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.132 1.333 . . . . 0.0 111.281 169.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.5 t -52.16 -31.89 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 124.557 1.143 . . . . 0.0 112.01 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -20.4 -71.03 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 130.406 3.482 . . . . 0.0 113.429 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.6 -16.57 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 124.215 1.006 . . . . 0.0 110.885 -175.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 174.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HE3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 58.34 98.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.412 2.285 . . . . 0.0 110.251 175.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.01 -159.76 11.14 Favored Glycine 0 N--CA 1.462 0.388 0 C-N-CA 125.899 1.714 . . . . 0.0 109.295 -165.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.421 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 3.9 m-30 -113.33 131.31 56.01 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 162.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . . . -108.96 133.41 52.99 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 119.647 -0.821 . . . . 0.0 112.263 -167.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.474 ' CB ' ' HA2' ' A' ' 11' ' ' GLY . 34.4 m -149.55 150.12 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 126.698 1.999 . . . . 0.0 105.871 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.29 -66.73 0.33 Allowed 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 126.162 1.785 . . . . 0.0 112.107 -168.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -168.27 36.55 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 126.438 1.895 . . . . 0.0 107.381 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.7 p -162.61 -73.11 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -174.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.474 ' HA2' ' CB ' ' A' ' 7' ' ' VAL . . . 159.64 46.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 -177.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.91 73.87 2.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.712 1.256 . . . . 0.0 108.921 171.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.11 119.58 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 121.925 0.869 . . . . 0.0 110.379 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -79.52 68.3 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.046 0.938 . . . . 0.0 109.435 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 175.17 2.76 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.195 171.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.9 p 157.69 175.29 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 128.656 2.782 . . . . 0.0 111.03 -172.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' H ' HD23 ' A' ' 17' ' ' LEU . 1.8 pt? -94.18 -42.75 8.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.15 0.98 . . . . 0.0 111.167 160.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.4 71.16 5.95 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.181 -0.95 . . . . 0.0 112.033 -171.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -7.56 -56.57 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.093 2.957 . . . . 0.0 116.892 168.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -50.28 -38.57 41.81 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.147 1.379 . . . . 0.0 112.077 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -52.07 -52.89 48.3 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.766 0.426 . . . . 0.0 110.122 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -53.66 55.46 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -49.17 -56.65 8.56 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.419 1.088 . . . . 0.0 111.272 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -49.14 -58.73 4.48 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 124.706 1.202 . . . . 0.0 111.321 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.1 mm -57.55 -41.22 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 6' ' ' ALA 0.267 0.9 OUTLIER -65.83 -41.59 91.6 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 120.434 -0.506 . . . . 0.0 112.054 -166.561 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -71.46 -48.78 47.11 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 170.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.66 -50.29 60.67 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.626 1.17 . . . . 0.0 111.908 -170.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -97.17 -52.61 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.517 0 C-N-CA 125.288 1.435 . . . . 0.0 109.674 -172.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -104.57 0.25 28.45 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -165.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.281 99.1 m-85 54.03 46.47 25.43 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HB2' HD23 ' A' ' 47' ' ' LEU . . . -61.47 176.75 0.45 Allowed 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.818 139.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.9 p -109.3 -30.64 7.9 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.563 1.945 . . . . 0.0 110.82 161.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.76 -164.18 1.95 Allowed 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.46 -0.775 . . . . 0.0 110.095 174.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 175.71 20.21 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 -165.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -171.81 165.61 6.51 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.427 1.491 . . . . 0.0 108.109 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.5 m -75.64 85.35 2.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.65 167.91 14.19 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.342 1.057 . . . . 0.0 108.322 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -3.98 -55.92 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 131.008 3.723 . . . . 0.0 116.676 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.23 29.87 0.44 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 172.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.421 ' HB2' ' CE2' ' A' ' 5' ' ' TYR . 4.3 m -170.48 171.21 6.58 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.156 -0.965 . . . . 0.0 110.63 -173.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.3 t -95.84 100.82 12.48 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.02 152.72 44.88 Favored 'General case' 0 CA--C 1.482 -1.671 0 O-C-N 125.394 1.684 . . . . 0.0 108.975 167.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.821 ' HB3' HD21 ' A' ' 47' ' ' LEU . 94.8 m -152.21 116.08 4.87 Favored 'General case' 0 N--CA 1.404 -2.733 0 O-C-N 126.066 2.104 . . . . 0.0 107.865 -171.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -86.21 143.9 27.73 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.782 1.633 . . . . 0.0 108.741 171.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.21 2.81 79.82 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 117.965 -1.464 . . . . 0.0 114.212 171.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 44' ' ' CYS . 7.4 mt -40.82 123.53 1.93 Allowed 'General case' 0 C--N 1.344 0.346 0 CA-C-N 118.483 1.142 . . . . 0.0 112.051 -173.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -117.52 -64.55 1.29 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 124.468 1.107 . . . . 0.0 110.276 -170.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -63.45 -39.67 95.08 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.684 1.194 . . . . 0.0 109.811 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 t0 56.96 47.43 17.69 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 123.163 1.458 . . . . 0.0 110.929 163.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -37.29 -66.07 0.26 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.812 2.045 . . . . 0.0 112.634 -168.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.38 64.31 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 -172.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.404 HG21 ' HE3' ' A' ' 2' ' ' LYS . 27.2 m -64.08 154.72 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.496 -167.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.05 168.29 10.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 123.02 1.391 . . . . 0.0 110.303 169.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -115.22 118.27 32.84 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 127.584 2.354 . . . . 0.0 106.391 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.5 pt -113.97 140.24 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.779 0.323 . . . . 0.0 110.371 -159.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.05 145.47 46.37 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.213 0.605 . . . . 0.0 109.671 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -58.05 -51.88 67.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 122.227 1.013 . . . . 0.0 109.899 -173.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.29 -37.92 50.03 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.265 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.57 -43.16 70.03 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.889 0.768 . . . . 0.0 109.345 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -59.92 3.68 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -50.81 -52.45 41.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.656 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -53.98 -44.02 70.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.501 0.721 . . . . 0.0 110.899 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.6 m -108.01 26.89 9.83 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.391 1.076 . . . . 0.0 113.17 -168.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -100.32 -73.55 0.63 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.666 1.121 . . . . 0.0 110.62 175.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.9 t -56.19 -27.23 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.81 1.644 . . . . 0.0 112.554 -169.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -28.61 -67.29 0.07 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 128.981 2.912 . . . . 0.0 112.793 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.87 -39.88 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 124.085 0.954 . . . . 0.0 109.052 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 171.388 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.485 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 33.6 p-10 -126.92 142.67 51.49 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.177 1.391 . . . . 0.0 108.082 166.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.99 168.57 40.88 Favored Glycine 0 CA--C 1.521 0.461 0 O-C-N 121.288 -0.883 . . . . 0.0 112.872 -155.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.503 ' CD2' HG22 ' A' ' 56' ' ' ILE . 4.0 m-30 -83.11 102.84 12.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.609 1.163 . . . . 0.0 109.943 171.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.33 136.97 34.91 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.766 0.666 . . . . 0.0 109.45 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.498 ' CB ' ' HA2' ' A' ' 11' ' ' GLY . 21.1 m -135.63 151.29 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -1.08 -77.92 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 128.098 2.559 . . . . 0.0 113.595 159.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t 174.92 -42.04 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 131.31 3.844 . . . . 0.0 105.419 -168.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.4 t -89.56 -61.57 1.67 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.887 1.275 . . . . 0.0 109.118 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.498 ' HA2' ' CB ' ' A' ' 7' ' ' VAL . . . 162.62 27.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 117.135 1.614 . . . . 0.0 117.135 -174.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 83.86 2.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.293 1.547 . . . . 0.0 108.065 173.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.1 m -57.05 122.99 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -83.41 57.98 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.82 -0.55 . . . . 0.0 109.605 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -33.01 -82.2 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.801 2.441 . . . . 0.0 113.65 -166.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 71.84 166.99 0.31 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.151 1.78 . . . . 0.0 114.818 175.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.61 -55.12 2.51 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.46 1.504 . . . . 0.0 110.904 166.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.36 83.71 5.36 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.708 -1.245 . . . . 0.0 111.781 -171.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -12.52 -56.61 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 129.51 3.124 . . . . 0.0 116.319 171.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -39.39 -47.23 1.75 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.527 1.131 . . . . 0.0 112.102 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -53.56 -46.24 70.2 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.832 0.853 . . . . 0.0 111.669 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -49.21 74.17 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -41.32 58.52 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.331 0.514 . . . . 0.0 111.264 174.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.34 -57.46 12.9 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 121.667 -0.645 . . . . 0.0 111.452 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.58 -47.32 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 O-C-N 121.78 -0.575 . . . . 0.0 110.142 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.531 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 24.2 m -43.8 -58.69 2.59 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 127.469 2.308 . . . . 0.0 110.904 175.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -69.59 -42.42 74.48 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.42 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.01 -44.44 82.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.879 0.872 . . . . 0.0 111.828 -173.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.7 t -104.95 -43.81 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.157 0 C-N-CA 125.245 1.418 . . . . 0.0 111.019 -169.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -104.36 -9.35 18.55 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.117 0.967 . . . . 0.0 112.038 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.266 28.7 m-85 62.57 29.06 16.95 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.743 1.217 . . . . 0.0 112.621 -178.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -69.83 150.75 46.5 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.203 0.525 . . . . 0.0 110.768 168.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.9 p -84.15 -32.27 24.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.068 1.747 . . . . 0.0 110.659 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.3 t -148.06 -168.5 3.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.448 1.099 . . . . 0.0 108.895 177.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.68 169.14 13.61 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 -166.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -175.29 175.13 2.26 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -173.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 71.1 m -93.55 87.19 5.44 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 -171.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.4 t -69.04 164.55 22.16 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.647 1.579 . . . . 0.0 109.38 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tp -10.75 -59.11 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 129.466 3.106 . . . . 0.0 115.233 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -153.2 39.38 0.51 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.534 1.134 . . . . 0.0 109.291 174.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -161.89 175.12 12.21 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 120.62 -1.3 . . . . 0.0 110.942 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 t -112.33 110.29 20.43 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 111.969 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -87.6 149.23 24.45 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.44 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.3 m -135.97 161.29 36.06 Favored 'General case' 0 N--CA 1.423 -1.802 0 C-N-CA 126.353 1.861 . . . . 0.0 108.416 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 70.7 m-85 -128.05 132.01 49.09 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 126.268 1.827 . . . . 0.0 108.435 170.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.28 42.14 10.91 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.857 1.217 . . . . 0.0 111.835 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.68 HD12 ' H ' ' A' ' 47' ' ' LEU . 2.8 mp -67.41 78.98 0.16 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.087 1.444 . . . . 0.0 108.616 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.85 -48.87 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.49 1.116 . . . . 0.0 109.253 -176.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.405 ' OD2' ' NZ ' ' A' ' 51' ' ' LYS . 9.1 t0 -64.4 -62.12 1.8 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 113.689 -1.596 . . . . 0.0 111.07 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' OD1' HG13 ' A' ' 53' ' ' VAL . 38.0 t0 39.12 88.25 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.671 2.389 . . . . 0.0 112.792 -176.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' A' ' 49' ' ' ASP . 1.8 mptp? -58.04 -52.89 63.64 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 112.476 -2.147 . . . . 0.0 109.885 173.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -179.1 70.07 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.454 1.101 . . . . 0.0 109.741 -173.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.67 HG11 HD22 ' A' ' 47' ' ' LEU . 19.9 m -59.59 151.02 5.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 119.023 -1.071 . . . . 0.0 112.391 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.12 170.76 13.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.786 1.279 . . . . 0.0 111.975 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -109.66 121.87 46.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.687 2.395 . . . . 0.0 105.421 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.503 HG22 ' CD2' ' A' ' 5' ' ' TYR . 16.9 pt -122.21 145.66 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -158.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 146.29 26.29 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 122.984 0.513 . . . . 0.0 109.833 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -56.07 -56.77 16.84 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.03 -35.76 26.15 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.148 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -40.91 64.22 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.908 0.777 . . . . 0.0 109.896 177.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -57.73 11.07 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 119.078 0.854 . . . . 0.0 109.0 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -55.81 -45.27 78.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.267 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -59.07 -45.27 91.23 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 122.31 -0.244 . . . . 0.0 110.596 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.2 m -111.41 42.09 1.75 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.923 1.289 . . . . 0.0 112.821 -168.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -117.43 -69.33 0.86 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 119.257 0.935 . . . . 0.0 110.437 165.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.42 -19.94 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.415 1.486 . . . . 0.0 112.998 -170.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -29.79 -61.97 0.14 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 128.723 2.809 . . . . 0.0 114.073 -176.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.0 mm -68.26 -30.17 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 122.786 0.435 . . . . 0.0 111.43 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 175.399 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.417 ' HD2' HG11 ' A' ' 53' ' ' VAL . 13.2 ptpt . . . . . 0 C--O 1.225 -0.217 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 26.1 m-20 -125.32 149.15 48.35 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 104.829 -2.285 . . . . 0.0 104.829 159.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.36 171.16 44.15 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 119.441 1.019 . . . . 0.0 111.901 -169.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -82.91 123.56 29.52 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 122.948 0.499 . . . . 0.0 110.345 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.33 141.29 28.88 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.497 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 5.8 m -121.69 160.13 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 C-N-CA 123.572 0.749 . . . . 0.0 110.413 168.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -170.85 0.11 Allowed 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.246 1.418 . . . . 0.0 113.858 -167.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -76.8 48.93 0.6 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 113.236 -1.802 . . . . 0.0 108.97 159.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 m -170.89 -38.18 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 127.112 2.165 . . . . 0.0 110.011 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.497 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 108.08 2.39 33.88 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 124.509 1.052 . . . . 0.0 112.069 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -67.75 149.36 50.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.792 1.296 . . . . 0.0 107.923 165.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.86 -177.01 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 162.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.7 m -118.92 144.18 46.58 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 149.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -75.05 0.13 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.96 1.704 . . . . 0.0 107.074 175.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.28 12.6 p 66.77 154.31 0.09 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 128.987 2.915 . . . . 0.0 113.863 -176.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -109.64 -51.27 2.89 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.797 1.239 . . . . 0.0 108.48 174.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.12 106.47 17.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.322 0.649 . . . . 0.0 109.975 -177.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -35.18 -43.68 0.23 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.478 1.511 . . . . 0.0 113.365 170.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -48.88 -45.27 40.85 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.807 1.243 . . . . 0.0 111.75 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.44 -53.78 49.53 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 176.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -56.69 -49.99 73.47 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.523 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -61.68 -51.34 68.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.41 -177.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -50.9 -53.89 28.73 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.424 0.689 . . . . 0.0 111.796 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -58.28 -47.49 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-O 121.548 0.689 . . . . 0.0 109.659 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -39.34 78.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.3 -166.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 t -67.05 -42.69 84.34 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 170.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -54.87 -46.3 74.71 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 121.741 -0.599 . . . . 0.0 111.667 -176.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.3 t -105.57 -42.32 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 124.211 1.004 . . . . 0.0 111.71 -167.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -110.85 3.7 19.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.025 1.33 . . . . 0.0 111.662 -170.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.269 33.3 m-85 55.85 27.98 11.75 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 125.07 1.348 . . . . 0.0 113.976 176.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.58 148.69 23.33 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 122.881 0.472 . . . . 0.0 111.192 168.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.2 t -100.06 -11.29 20.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.745 1.618 . . . . 0.0 112.168 170.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -157.19 -167.29 2.28 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.553 1.07 . . . . 0.0 109.026 168.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.39 -175.82 27.49 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 108.134 -1.986 . . . . 0.0 108.134 -170.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 169.14 174.2 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 125.374 1.469 . . . . 0.0 108.835 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.3 m -78.2 87.3 4.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -74.34 161.92 29.39 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -7.12 -62.53 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 130.171 3.389 . . . . 0.0 114.976 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.0 mt -131.18 1.2 4.2 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.116 1.366 . . . . 0.0 112.813 -174.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -159.88 151.08 19.5 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 120.992 -1.068 . . . . 0.0 112.826 -170.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 119.75 8.68 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.278 1.031 . . . . 0.0 112.547 169.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -99.16 156.31 17.02 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 126.169 1.788 . . . . 0.0 109.313 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.3 m -140.1 159.83 41.31 Favored 'General case' 0 N--CA 1.416 -2.14 0 C-N-CA 124.877 1.271 . . . . 0.0 108.407 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -129.05 133.02 47.54 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.549 1.94 . . . . 0.0 106.339 171.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.82 37.11 13.88 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.06 1.314 . . . . 0.0 113.009 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 47' ' ' LEU . 2.7 mp -66.54 107.89 2.23 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 118.616 1.208 . . . . 0.0 108.831 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -1.56 -85.24 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 128.289 2.635 . . . . 0.0 112.025 171.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -127.9 -174.83 3.3 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.02 1.328 . . . . 0.0 109.296 156.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -82.19 63.57 6.45 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 124.171 1.938 . . . . 0.0 108.979 171.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -35.75 65.3 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 112.89 -1.959 . . . . 0.0 110.517 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 173.42 73.97 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.966 2.106 . . . . 0.0 108.418 163.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.417 HG11 ' HD2' ' A' ' 2' ' ' LYS . 7.1 m -73.09 166.18 2.75 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 C-N-CA 118.396 -1.322 . . . . 0.0 110.889 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.5 mp -95.4 166.67 11.76 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 124.056 1.884 . . . . 0.0 113.035 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -85.01 73.38 10.69 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 111.714 -2.494 . . . . 0.0 110.418 -166.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.448 HD13 HG21 ' A' ' 56' ' ' ILE . 2.2 pt -49.24 132.72 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.571 168.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 151.13 35.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 176.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.5 -52.58 64.82 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 122.498 1.142 . . . . 0.0 110.196 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.19 -39.18 55.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.131 174.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -39.27 73.36 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 118.763 0.71 . . . . 0.0 109.282 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.44 -60.32 3.46 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 174.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 t -53.82 -45.11 70.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.055 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -60.3 -43.98 95.8 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.023 0.529 . . . . 0.0 111.32 176.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.8 m -117.34 29.05 8.11 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.214 1.406 . . . . 0.0 113.691 -165.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -117.67 -67.69 0.97 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 120.758 1.617 . . . . 0.0 110.646 172.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.2 t -52.75 -30.61 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.551 1.141 . . . . 0.0 112.563 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -23.29 -62.01 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 129.253 3.021 . . . . 0.0 114.436 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mm -68.96 -25.17 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 122.683 0.393 . . . . 0.0 111.559 -170.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.8 mt . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.068 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? . . . . . 0 N--CA 1.466 0.337 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 59.45 111.51 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 127.643 2.377 . . . . 0.0 107.688 -161.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.485 ' H ' ' HG ' ' A' ' 47' ' ' LEU . . . -135.79 -166.01 10.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 126.638 2.066 . . . . 0.0 108.467 -163.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.541 ' CE2' HG23 ' A' ' 56' ' ' ILE . 47.1 m-85 -119.12 136.82 53.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.023 168.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.22 141.61 39.72 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 123.708 0.63 . . . . 0.0 112.001 -171.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.5 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 12.2 m -138.9 161.04 29.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 125.243 1.417 . . . . 0.0 108.666 171.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -71.01 179.47 2.74 Favored 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 124.284 1.033 . . . . 0.0 109.45 167.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.52 63.84 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.296 1.838 . . . . 0.0 108.282 157.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.48 -31.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.221 1.808 . . . . 0.0 111.115 -167.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.5 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 67.91 49.2 49.96 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 119.388 0.995 . . . . 0.0 112.361 167.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -126.98 103.68 7.6 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.441 1.096 . . . . 0.0 108.376 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.59 162.75 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.111 0.481 . . . . 0.0 110.33 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 m -90.56 134.06 34.64 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 153.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -111.8 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 164.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 89.49 149.1 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 127.952 2.501 . . . . 0.0 113.363 172.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -96.42 -34.83 11.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.642 1.177 . . . . 0.0 111.523 171.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.23 66.92 5.89 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.132 -0.98 . . . . 0.0 111.228 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -3.97 -67.98 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 129.58 3.152 . . . . 0.0 116.058 174.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -57.32 -25.79 59.89 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 125.294 1.438 . . . . 0.0 112.45 -169.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -49.26 -48.72 45.61 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.205 0.457 . . . . 0.0 111.048 171.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -46.77 77.05 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.484 -173.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -44.65 -58.82 2.81 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.146 0.978 . . . . 0.0 110.906 169.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -49.73 -55.62 13.25 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.108 0.963 . . . . 0.0 111.5 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.9 mm -56.16 -43.08 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.015 0.526 . . . . 0.0 110.033 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.318 0.5 OUTLIER -66.87 -36.33 82.06 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -170.003 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.71 -49.86 42.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.927 168.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.98 -50.62 70.33 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.307 1.043 . . . . 0.0 111.23 -170.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.9 t -94.08 -59.45 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 C-N-CA 125.489 1.516 . . . . 0.0 109.504 -172.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -88.59 -32.05 18.3 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 123.71 0.804 . . . . 0.0 112.466 -163.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.347 70.3 m-85 76.35 31.46 0.62 Allowed 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 126.817 2.047 . . . . 0.0 113.302 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.98 163.61 0.48 Allowed 'General case' 0 CA--C 1.54 0.59 0 O-C-N 122.134 -0.353 . . . . 0.0 111.295 144.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 p -86.09 -84.99 0.16 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.023 0.929 . . . . 0.0 108.729 170.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -89.99 -159.27 0.58 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.059 1.343 . . . . 0.0 109.619 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.41 -179.95 20.49 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 -172.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 p90 173.83 168.57 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 C-N-CA 125.385 1.474 . . . . 0.0 108.845 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.6 m -76.25 99.73 4.85 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 38.7 t -95.48 160.36 14.55 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.114 0.966 . . . . 0.0 109.599 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -15.98 -41.34 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.347 1 C-N-CA 132.119 4.168 . . . . 0.0 117.431 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.75 13.61 0.82 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 171.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 m -161.49 171.63 17.82 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 119.259 0.936 . . . . 0.0 110.911 -175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 t -95.03 104.69 16.57 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.32 1.048 . . . . 0.0 111.316 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -81.99 156.69 24.55 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 113.4 -1.727 . . . . 0.0 110.294 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.897 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.295 89.2 m -161.66 125.39 3.23 Favored 'General case' 0 N--CA 1.407 -2.62 0 O-C-N 126.277 2.236 . . . . 0.0 105.242 -159.844 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -94.42 161.49 14.21 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 176.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.89 26.58 67.34 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.268 -0.74 . . . . 0.0 112.621 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.897 HD21 ' HB3' ' A' ' 44' ' ' CYS . 1.1 mt -66.03 113.48 4.49 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.237 1.518 . . . . 0.0 107.007 166.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -121.53 -64.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -165.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -53.34 153.72 3.77 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.751 147.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -125.69 93.53 3.87 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 124.471 2.081 . . . . 0.0 107.527 -172.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.41 52.59 0.49 Allowed 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.209 -2.268 . . . . 0.0 109.534 177.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 41.12 56.64 2.99 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 125.535 1.534 . . . . 0.0 109.589 -169.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.34 143.74 14.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.66 0.743 . . . . 0.0 110.818 -157.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 5' ' ' TYR . 3.9 mp -72.33 173.47 8.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.526 1.631 . . . . 0.0 113.61 -167.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -82.44 69.98 9.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 112.821 -1.991 . . . . 0.0 109.967 -164.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -57.08 138.54 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 157.459 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -101.7 151.03 22.51 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 169.633 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.8 -61.16 2.43 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 125.35 1.46 . . . . 0.0 109.91 -171.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.62 -38.95 64.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.828 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -33.62 72.32 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 118.983 0.81 . . . . 0.0 109.432 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -70.65 -50.93 31.57 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 103.776 -2.676 . . . . 0.0 103.776 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.1 m -48.61 -57.59 6.0 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 117.879 0.309 . . . . 0.0 111.572 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.93 -42.38 48.29 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.887 1.275 . . . . 0.0 110.839 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.3 m -108.59 51.3 0.75 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.402 1.481 . . . . 0.0 110.971 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -139.93 -51.59 0.5 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.314 1.415 . . . . 0.0 110.977 162.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.39 -35.25 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.807 1.243 . . . . 0.0 111.597 176.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -26.03 -67.25 0.05 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 129.453 3.101 . . . . 0.0 113.46 173.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.2 mm -85.4 -37.38 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 CA--C 1.532 0.254 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 171.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.424 ' HA ' HD11 ' A' ' 47' ' ' LEU . 13.3 m-20 -134.15 136.76 44.03 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 165.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.66 178.04 44.92 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -169.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.852 ' CD2' HG22 ' A' ' 56' ' ' ILE . 14.3 m-30 -82.35 104.8 12.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 124.117 0.539 . . . . 0.0 110.146 173.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.23 150.79 33.39 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 m -130.48 163.17 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 165.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.36 -163.8 0.99 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.797 1.284 . . . . 0.0 110.738 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -65.29 19.48 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 130.054 3.342 . . . . 0.0 113.084 169.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.6 t -151.21 -31.31 0.17 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.61 53.68 33.63 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 119.351 0.978 . . . . 0.0 112.635 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -103.88 157.14 17.29 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 147.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -109.32 136.23 45.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 123.443 0.697 . . . . 0.0 110.836 -171.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -86.18 93.23 8.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.08 -78.35 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.052 1.741 . . . . 0.0 110.001 169.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.261 19.5 p 59.23 176.47 0.08 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 127.869 2.468 . . . . 0.0 114.083 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -125.38 -53.14 1.6 Allowed 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.0 1.32 . . . . 0.0 109.423 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.62 80.14 7.13 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.42 -0.8 . . . . 0.0 110.316 -171.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -16.31 -55.42 0.01 OUTLIER 'General case' 0 C--O 1.233 0.185 0 C-N-CA 129.711 3.204 . . . . 0.0 115.682 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -37.07 -51.62 0.96 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.337 1.055 . . . . 0.0 111.658 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -46.0 -54.49 8.29 Favored 'General case' 0 C--O 1.23 0.068 0 C-N-CA 124.896 1.279 . . . . 0.0 111.676 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -45.71 80.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -174.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -40.89 62.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.569 0.348 . . . . 0.0 111.041 171.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.05 -53.69 51.99 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 123.927 0.891 . . . . 0.0 109.99 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -59.33 -45.92 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 121.27 0.557 . . . . 0.0 109.965 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 23.1 m -49.29 -53.94 19.41 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.033 1.733 . . . . 0.0 110.973 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 t -73.6 -41.74 62.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.611 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -56.62 -49.14 75.85 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.769 0.827 . . . . 0.0 111.954 -171.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.81 -54.75 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.365 0 C-N-CA 125.624 1.57 . . . . 0.0 109.349 -169.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -84.51 -19.11 33.78 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 57.95 52.5 7.78 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.168 1.387 . . . . 0.0 111.729 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -94.5 136.26 35.0 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.19 1.396 . . . . 0.0 108.479 151.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -69.55 -22.89 63.51 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.524 1.13 . . . . 0.0 112.185 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 m -149.61 -171.51 3.91 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.28 176.45 25.78 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 107.697 -2.161 . . . . 0.0 107.697 -169.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.89 172.96 1.6 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.174 0.589 . . . . 0.0 111.014 -177.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.4 m -79.66 83.2 5.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 126.425 1.89 . . . . 0.0 107.378 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -73.2 158.78 34.57 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.616 -0.678 . . . . 0.0 109.206 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.406 HD12 HG22 ' A' ' 60' ' ' THR . 77.0 mt -21.46 -44.36 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 130.237 3.415 . . . . 0.0 116.288 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.54 33.17 0.5 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.937 0.79 . . . . 0.0 112.438 168.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -166.81 -179.78 4.93 Favored 'General case' 0 C--N 1.339 0.13 0 O-C-N 121.282 -0.886 . . . . 0.0 110.64 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.1 t -107.69 104.28 13.76 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.536 1.134 . . . . 0.0 110.781 -171.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.99 146.86 39.23 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 113.718 -1.583 . . . . 0.0 108.589 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.42 ' HB3' ' CB ' ' A' ' 32' ' ' ALA . 53.7 m -140.49 142.92 35.25 Favored 'General case' 0 N--CA 1.422 -1.843 0 O-C-N 125.763 1.914 . . . . 0.0 106.963 176.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -115.82 119.61 36.57 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 127.321 2.248 . . . . 0.0 108.928 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.473 ' N ' HD12 ' A' ' 47' ' ' LEU . . . 103.67 -6.94 49.29 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 117.383 -1.787 . . . . 0.0 114.716 171.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.738 HD12 ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -11.35 87.04 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.345 3.058 . . . . 0.0 112.446 170.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -19.79 -84.41 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 129.294 3.038 . . . . 0.0 112.149 174.442 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.421 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 28.2 t70 -77.83 153.47 32.72 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 141.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.55 -38.21 71.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.899 2.48 . . . . 0.0 112.835 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 55.6 53.51 9.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 127.026 2.13 . . . . 0.0 110.457 -167.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 38.86 64.51 0.77 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 126.948 2.099 . . . . 0.0 111.456 172.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 m -56.64 144.04 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-O 122.073 0.939 . . . . 0.0 111.691 -169.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.96 168.0 8.84 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 123.71 1.719 . . . . 0.0 111.952 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -80.21 71.28 6.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 112.458 -2.156 . . . . 0.0 107.421 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.852 HG22 ' CD2' ' A' ' 5' ' ' TYR . 38.5 pt -66.52 135.41 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -172.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -77.94 149.89 34.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.34 -60.63 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.257 1.027 . . . . 0.0 110.446 -171.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.52 -43.3 55.88 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.054 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.406 HG22 HD12 ' A' ' 39' ' ' LEU . 32.1 p -68.99 -36.55 77.98 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 118.234 -0.888 . . . . 0.0 112.315 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -60.24 -51.0 71.42 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t -53.47 -53.45 51.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.367 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -54.43 -42.67 70.8 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.532 0.733 . . . . 0.0 111.328 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.7 m -110.75 35.34 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.197 1.399 . . . . 0.0 112.735 -169.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -136.29 -51.88 0.71 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.499 1.499 . . . . 0.0 110.973 173.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.9 t -55.59 -29.96 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.244 1.017 . . . . 0.0 111.683 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -27.69 -71.08 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 129.53 3.132 . . . . 0.0 113.074 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.6 mt -87.49 -39.62 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 123.721 0.808 . . . . 0.0 108.929 -175.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 170.381 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.174 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.505 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 47.4 p-10 -121.76 145.0 48.47 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 119.745 1.157 . . . . 0.0 108.533 164.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.69 167.9 38.57 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -158.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -78.86 100.3 7.13 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.472 0.709 . . . . 0.0 109.389 171.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.9 134.25 45.92 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.461 -175.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.2 m -138.06 159.2 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 163.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.6 -160.38 0.79 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 124.656 1.223 . . . . 0.0 111.383 -177.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -69.72 43.08 0.05 Allowed 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.067 -1.424 . . . . 0.0 111.4 160.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -142.64 -57.58 0.44 Allowed 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.009 -1.057 . . . . 0.0 110.384 166.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.83 34.49 53.04 Favored Glycine 0 C--N 1.334 0.432 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 165.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 18.9 tttp -86.13 149.11 25.35 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 138.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.6 m -61.93 131.36 27.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-O 121.019 0.438 . . . . 0.0 110.958 168.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.2 m -78.15 68.03 4.09 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.711 1.205 . . . . 0.0 108.383 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 3.8 tt0 -46.97 -75.46 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.018 2.527 . . . . 0.0 112.889 -157.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 60.77 166.42 0.08 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.935 1.694 . . . . 0.0 115.062 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.08 -43.33 3.1 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.575 1.55 . . . . 0.0 110.945 166.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.22 80.34 4.64 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.813 -1.18 . . . . 0.0 111.229 -174.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -19.91 -47.93 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.328 3.051 . . . . 0.0 116.357 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -43.36 -46.84 6.67 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.078 0.951 . . . . 0.0 111.964 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -47.43 -55.06 9.73 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.116 0.966 . . . . 0.0 110.488 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -56.14 -52.69 63.44 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -176.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -54.75 -57.24 12.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.153 0.581 . . . . 0.0 109.648 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -48.93 -56.88 7.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.996 1.318 . . . . 0.0 112.348 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.55 -44.63 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.677 0.791 . . . . 0.0 109.618 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -41.54 75.14 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.693 -169.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 t -64.98 -40.62 95.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.607 170.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -58.77 -45.53 89.58 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.587 -0.695 . . . . 0.0 111.444 -175.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.9 t -103.59 -54.42 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 124.605 1.162 . . . . 0.0 110.764 -172.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -89.92 -20.01 23.86 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.449 1.1 . . . . 0.0 111.829 -167.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.318 96.5 m-85 67.76 30.6 6.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.691 1.996 . . . . 0.0 112.285 -174.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.21 133.22 35.99 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 168.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 t -73.23 -30.8 63.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.999 0.92 . . . . 0.0 111.107 -173.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 t -144.11 -163.45 1.68 Allowed 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.015 -0.428 . . . . 0.0 109.868 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.5 -172.18 29.54 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 107.751 -2.14 . . . . 0.0 107.751 -165.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 173.59 165.87 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.518 1.127 . . . . 0.0 108.838 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.6 m -88.67 83.03 6.75 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.2 t -59.2 160.86 5.92 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.692 1.597 . . . . 0.0 109.245 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -7.0 -58.46 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.698 3.199 . . . . 0.0 115.839 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.62 44.1 0.59 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.66 167.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -160.29 169.35 23.36 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 120.93 -1.106 . . . . 0.0 110.01 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.03 105.9 14.42 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.687 0.756 . . . . 0.0 109.989 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.67 154.86 24.67 Favored 'General case' 0 CA--C 1.498 -1.023 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.317 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 92.9 m -142.25 159.94 41.23 Favored 'General case' 0 N--CA 1.419 -1.988 0 C-N-CA 124.862 1.265 . . . . 0.0 108.454 172.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -127.34 106.8 9.46 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 126.307 1.843 . . . . 0.0 109.232 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.81 43.66 1.29 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.498 1.999 . . . . 0.0 111.78 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.607 HD12 ' H ' ' A' ' 47' ' ' LEU . 3.5 mp -73.38 72.25 1.31 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 118.941 1.37 . . . . 0.0 109.248 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.03 -50.83 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.083 0.944 . . . . 0.0 109.316 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -45.78 -64.32 0.76 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.326 2.65 . . . . 0.0 113.229 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' OD1' HG13 ' A' ' 53' ' ' VAL . 60.3 t0 20.21 78.38 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 127.944 2.497 . . . . 0.0 113.431 -175.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -57.32 -50.02 74.27 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 111.698 -2.501 . . . . 0.0 109.675 172.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -176.67 65.26 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.105 0.962 . . . . 0.0 110.593 -172.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 47' ' ' LEU . 12.4 m -52.3 145.74 2.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.567 0.698 . . . . 0.0 111.848 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.7 162.88 25.15 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 123.823 1.773 . . . . 0.0 110.779 175.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -96.78 83.73 3.48 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 111.538 -2.574 . . . . 0.0 105.397 -164.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.28 143.21 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.815 -174.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.578 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -81.09 136.09 35.89 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 170.72 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -71.72 -49.39 39.74 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.592 -158.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.57 14.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.756 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.2 p -73.25 -25.35 60.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 117.174 -1.393 . . . . 0.0 112.328 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -50.36 73.85 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 121.139 1.791 . . . . 0.0 107.902 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 t -53.72 -53.32 53.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.202 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -55.1 -46.15 75.52 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.748 0.308 . . . . 0.0 111.36 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 89.7 m -107.17 39.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.183 1.393 . . . . 0.0 112.661 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -128.84 -61.96 1.03 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.829 1.195 . . . . 0.0 111.911 171.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.1 t -56.49 -27.04 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.257 1.023 . . . . 0.0 111.864 -175.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -18.3 -63.69 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 130.249 3.42 . . . . 0.0 114.47 175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.75 -29.52 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 122.719 0.407 . . . . 0.0 111.463 -170.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.416 ' O ' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.59 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -46.5 140.92 3.96 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 122.047 0.927 . . . . 0.0 112.628 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.84 168.09 40.21 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -165.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.599 ' CG ' HG22 ' A' ' 56' ' ' ILE . 1.2 m-30 -81.4 116.66 21.33 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -74.82 142.23 44.22 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 175.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 18.0 m -145.67 170.07 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 125.054 1.342 . . . . 0.0 107.899 173.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -35.5 -75.04 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.065 2.146 . . . . 0.0 112.379 168.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t 168.46 -48.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 131.152 3.781 . . . . 0.0 104.985 -164.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 t -73.34 -45.23 56.41 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.108 0.963 . . . . 0.0 109.642 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.468 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 135.77 38.65 0.17 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.202 1.382 . . . . 0.0 113.538 173.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -75.87 78.05 2.78 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.803 -0.822 . . . . 0.0 108.866 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 m -58.01 141.35 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 122.661 0.384 . . . . 0.0 110.95 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.6 m -100.57 136.54 40.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 166.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -126.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 162.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 102.36 159.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 130.008 3.323 . . . . 0.0 112.696 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.7 -42.69 5.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.944 1.298 . . . . 0.0 110.688 169.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.23 76.11 3.03 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.006 -1.059 . . . . 0.0 111.032 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -33.2 -39.28 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 127.872 2.469 . . . . 0.0 114.281 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -39.26 -49.89 1.94 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.755 1.622 . . . . 0.0 112.139 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.58 -53.62 44.15 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.733 0.813 . . . . 0.0 109.854 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.7 t -57.65 -53.77 54.47 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -49.89 -53.85 23.32 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.301 1.44 . . . . 0.0 110.814 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.77 -53.93 50.6 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.967 0.507 . . . . 0.0 112.073 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -58.56 -44.26 88.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.436 0.636 . . . . 0.0 110.052 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.0 m -53.47 -48.44 68.86 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 127.0 2.12 . . . . 0.0 110.272 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.3 p -68.45 -52.88 27.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.037 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -55.82 -53.22 59.34 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.126 1.37 . . . . 0.0 111.651 -164.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.1 t -89.69 -45.55 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.178 0 C-N-CA 124.455 1.102 . . . . 0.0 109.688 -170.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -103.52 -18.43 14.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -165.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.282 8.0 m-85 77.92 20.1 1.04 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.555 1.542 . . . . 0.0 114.21 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 165.76 0.65 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 162.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -99.06 -25.5 14.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.931 1.292 . . . . 0.0 110.874 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 p -157.35 -170.17 3.15 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.322 -0.861 . . . . 0.0 109.562 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.75 167.95 19.45 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 107.228 -2.349 . . . . 0.0 107.228 -171.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -173.54 162.27 4.17 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.091 0.956 . . . . 0.0 109.041 -172.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -88.81 91.83 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.6 m -73.47 179.41 4.05 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -12.02 -60.2 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 130.521 3.529 . . . . 0.0 114.25 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.69 41.41 0.53 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.151 0.58 . . . . 0.0 109.859 168.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -169.64 138.41 1.88 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.56 -0.712 . . . . 0.0 110.563 -162.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 115.86 28.28 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.333 1.053 . . . . 0.0 111.455 -169.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.89 153.97 27.31 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.932 0.893 . . . . 0.0 109.088 172.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 47' ' ' LEU . 57.8 m -134.1 158.05 44.59 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 163.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -118.55 104.44 10.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.124 1.77 . . . . 0.0 108.989 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.59 9.23 72.42 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.764 -0.464 . . . . 0.0 113.457 174.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -42.21 161.4 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.817 0.818 . . . . 0.0 112.241 154.594 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -56.29 161.9 2.31 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 123.66 1.695 . . . . 0.0 109.519 156.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -98.15 -39.0 9.1 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 129.648 3.179 . . . . 0.0 108.895 178.262 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -49.1 -30.81 6.99 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.81 2.044 . . . . 0.0 112.745 -176.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -85.68 57.04 4.24 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 30.52 59.7 0.22 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 128.455 2.702 . . . . 0.0 113.22 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.8 m -62.2 131.96 27.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.222 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.19 166.41 23.5 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.373 1.558 . . . . 0.0 111.708 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -92.28 103.75 16.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 112.032 -2.349 . . . . 0.0 106.627 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.599 HG22 ' CG ' ' A' ' 5' ' ' TYR . 23.4 pt -79.6 150.26 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -174.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' H ' ' HE3' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -81.63 156.77 24.96 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 108.066 -1.086 . . . . 0.0 108.066 -173.027 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -57.23 -63.38 1.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.808 0.843 . . . . 0.0 110.26 -177.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.16 -40.74 24.8 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.768 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.8 p -72.69 -35.85 67.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 118.162 -0.923 . . . . 0.0 112.469 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -56.47 -53.86 52.48 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 120.575 1.534 . . . . 0.0 109.767 167.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -58.35 -40.85 83.32 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.571 -0.705 . . . . 0.0 112.327 -176.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.27 -51.47 68.04 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.584 0.707 . . . . 0.0 110.113 167.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.72 34.23 5.25 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.346 1.059 . . . . 0.0 113.392 -154.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -123.72 -59.96 1.49 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.73 1.212 . . . . 0.0 109.54 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -49.35 -33.56 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 126.032 1.733 . . . . 0.0 112.094 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -18.25 -69.31 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 129.556 3.142 . . . . 0.0 112.798 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.1 mt -101.78 -38.8 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 125.536 1.535 . . . . 0.0 108.54 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 171.734 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.482 ' HD2' HG21 ' A' ' 53' ' ' VAL . 8.5 ptpp? . . . . . 0 C--O 1.227 -0.097 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.571 ' HA ' HD13 ' A' ' 47' ' ' LEU . 24.7 p-10 -114.75 150.12 35.85 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 126.659 1.984 . . . . 0.0 106.422 147.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 166.47 36.89 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -163.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.483 ' CD2' HG22 ' A' ' 56' ' ' ILE . 3.3 m-30 -74.92 108.27 7.54 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 165.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.57 144.37 27.94 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.81 160.21 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -90.84 -149.5 0.22 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 168.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -74.45 -4.01 34.11 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.335 1.054 . . . . 0.0 111.545 168.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 p -80.02 -58.78 2.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.384 1.474 . . . . 0.0 109.87 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.05 36.92 69.14 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 125.609 1.576 . . . . 0.0 112.792 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -108.46 107.53 18.11 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 159.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.75 136.64 25.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.07 0.462 . . . . 0.0 110.93 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.6 m -72.99 84.43 1.26 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 171.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -42.78 -71.7 0.08 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.551 1.54 . . . . 0.0 110.882 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.32 145.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.184 2.193 . . . . 0.0 116.351 168.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 pp -97.02 -42.38 7.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.552 1.141 . . . . 0.0 111.742 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.09 70.56 9.04 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 120.862 -1.149 . . . . 0.0 111.19 -171.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -10.96 -61.6 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.78 2.832 . . . . 0.0 116.456 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -43.12 -41.02 3.47 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.658 1.583 . . . . 0.0 112.715 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -39.23 -53.92 1.85 Allowed 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.096 0.958 . . . . 0.0 111.196 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 m -66.81 -52.56 42.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -169.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -43.32 -57.15 3.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.221 1.008 . . . . 0.0 111.678 170.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -54.98 -56.21 22.21 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 124.891 1.276 . . . . 0.0 111.365 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 mm -53.29 -45.46 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.791 0.837 . . . . 0.0 109.282 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -42.03 86.62 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -170.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 t -71.55 -30.34 65.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.937 -0.554 . . . . 0.0 111.026 171.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.43 -49.12 65.09 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.044 0.838 . . . . 0.0 110.671 -175.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.67 -55.24 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 C-N-CA 125.312 1.445 . . . . 0.0 110.404 -168.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -95.0 -19.96 19.75 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.109 0.963 . . . . 0.0 112.44 -169.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.263 39.2 m-85 74.28 33.88 0.86 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.048 1.739 . . . . 0.0 112.797 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.36 132.97 43.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 164.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -69.45 -25.58 64.17 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.349 1.06 . . . . 0.0 111.243 -177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -148.58 -162.17 1.5 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.515 -0.741 . . . . 0.0 110.692 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.58 -178.85 21.44 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 125.942 1.734 . . . . 0.0 109.143 -167.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 172.97 172.31 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 124.833 1.253 . . . . 0.0 108.294 178.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.7 m -81.34 89.7 6.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.05 167.34 12.06 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.592 1.157 . . . . 0.0 108.094 174.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -14.64 -58.32 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 128.7 2.8 . . . . 0.0 115.465 -172.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -150.78 38.54 0.68 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.724 0.81 . . . . 0.0 110.036 174.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.48 172.05 16.11 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.653 -1.279 . . . . 0.0 111.366 -176.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.59 105.35 15.18 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.936 0.874 . . . . 0.0 112.914 -170.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -90.74 154.49 19.5 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.265 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.412 ' C ' HD11 ' A' ' 47' ' ' LEU . 81.6 m -141.36 161.66 37.36 Favored 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 125.911 1.684 . . . . 0.0 108.406 175.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -132.74 122.61 24.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.893 2.077 . . . . 0.0 107.095 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.39 36.92 4.72 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.666 1.603 . . . . 0.0 111.877 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 47' ' ' LEU . 2.1 mp -70.04 67.55 0.29 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.614 1.566 . . . . 0.0 108.127 175.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.08 -53.44 45.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.367 0.603 . . . . 0.0 109.374 -165.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.84 145.61 50.18 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.239 152.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.04 97.16 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.158 1.783 . . . . 0.0 108.812 -167.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 51' ' ' LYS . 1.7 mppt? -61.03 -68.02 0.35 Allowed 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 126.792 2.037 . . . . 0.0 109.769 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 176.56 65.25 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.919 1.688 . . . . 0.0 106.649 -170.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.482 HG21 ' HD2' ' A' ' 2' ' ' LYS . 25.3 m -63.1 144.69 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.904 -173.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.5 165.42 25.14 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.224 1.488 . . . . 0.0 111.426 -173.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -91.06 86.15 6.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.287 -2.233 . . . . 0.0 108.275 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.483 HG22 ' CD2' ' A' ' 5' ' ' TYR . 28.7 pt -74.27 154.14 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.522 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 1.8 mppt? -75.82 154.25 36.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -35.63 81.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 122.64 1.21 . . . . 0.0 109.949 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.48 41.2 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.401 -1.272 . . . . 0.0 111.503 168.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -45.53 94.27 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.382 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -47.05 -59.17 3.31 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 119.5 1.045 . . . . 0.0 109.877 174.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -56.4 -52.01 66.2 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.985 0.421 . . . . 0.0 110.954 -177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -54.12 -40.95 67.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.204 1.002 . . . . 0.0 111.639 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.4 m -117.2 27.89 8.83 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 124.792 1.237 . . . . 0.0 112.14 -164.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -104.01 -67.28 0.9 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 119.918 1.236 . . . . 0.0 110.413 168.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.7 -22.62 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.403 1.081 . . . . 0.0 113.018 -169.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -30.31 -62.82 0.15 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 128.6 2.76 . . . . 0.0 114.185 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.5 mm -64.14 -31.89 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 122.965 0.506 . . . . 0.0 110.996 -174.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mm . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.594 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.562 ' HA ' HD13 ' A' ' 47' ' ' LEU . 29.7 p-10 -52.63 127.26 22.38 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 122.017 0.913 . . . . 0.0 112.274 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.5 175.23 45.43 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.607 -148.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -79.25 93.55 5.28 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.578 1.151 . . . . 0.0 109.726 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.66 142.74 38.66 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.397 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.417 ' CG1' ' HA2' ' A' ' 11' ' ' GLY . 21.4 m -137.3 136.61 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.403 ' OD1' ' NZ ' ' A' ' 12' ' ' LYS . 15.2 t70 18.44 -79.94 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.316 2.646 . . . . 0.0 114.056 141.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t 173.81 -41.16 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 131.293 3.837 . . . . 0.0 105.895 -167.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.1 p -109.87 -55.93 2.38 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.659 1.184 . . . . 0.0 110.605 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.417 ' HA2' ' CG1' ' A' ' 7' ' ' VAL . . . 134.68 62.65 0.07 OUTLIER Glycine 0 C--N 1.338 0.682 0 C-N-CA 125.216 1.389 . . . . 0.0 112.785 -174.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' NZ ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -75.06 66.32 1.59 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 160.118 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 m -65.72 141.68 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 122.709 0.404 . . . . 0.0 111.409 -172.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.5 m -98.23 133.3 42.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 168.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -120.11 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 162.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 106.17 147.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 130.604 3.562 . . . . 0.0 112.696 173.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -88.94 -40.64 12.91 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.098 0.959 . . . . 0.0 111.619 172.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 66.94 6.21 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.096 -1.003 . . . . 0.0 110.934 -175.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -17.08 -58.21 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 128.827 2.851 . . . . 0.0 115.746 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -33.87 -48.85 0.31 Allowed 'General case' 0 C--O 1.232 0.163 0 C-N-CA 126.994 2.118 . . . . 0.0 112.671 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -40.14 -51.93 2.6 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.771 1.228 . . . . 0.0 111.504 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.83 -44.53 73.28 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -169.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -49.97 65.63 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 171.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.41 -56.75 17.32 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 124.178 0.991 . . . . 0.0 110.461 -174.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 mm -55.59 -46.17 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 123.85 0.86 . . . . 0.0 109.303 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -38.44 91.0 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -171.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.2 t -73.39 -32.09 64.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 119.731 -0.787 . . . . 0.0 111.501 171.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -71.44 -41.42 69.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.248 0.931 . . . . 0.0 111.554 -172.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -108.13 -58.21 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 C-N-CA 126.216 1.807 . . . . 0.0 109.349 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -82.89 -28.47 29.97 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.828 0.851 . . . . 0.0 111.493 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.304 57.6 m-85 69.07 46.34 0.83 Allowed 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 127.182 2.193 . . . . 0.0 112.6 -173.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.9 136.96 34.59 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 162.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -79.15 -5.82 55.09 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -162.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -164.05 -173.59 3.24 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 127.056 2.142 . . . . 0.0 105.689 175.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.36 -178.44 31.17 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 107.259 -2.336 . . . . 0.0 107.259 -171.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 175.48 164.91 0.32 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.497 1.119 . . . . 0.0 108.955 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.0 m -77.06 87.91 3.56 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.0 t -69.69 159.76 32.88 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -6.41 -56.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 130.197 3.399 . . . . 0.0 115.507 175.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.45 38.57 0.55 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 173.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 t -169.77 -174.53 1.87 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 121.467 -0.771 . . . . 0.0 110.778 174.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -107.97 97.98 7.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 123.079 1.418 . . . . 0.0 111.541 -170.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.37 148.2 43.63 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 112.942 -1.935 . . . . 0.0 108.903 175.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.8 m -142.99 164.1 30.98 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 127.243 2.217 . . . . 0.0 106.17 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -127.09 124.31 38.91 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 124.999 1.32 . . . . 0.0 112.579 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.65 43.87 11.37 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.562 HD13 ' HA ' ' A' ' 3' ' ' ASN . 2.9 mp -61.11 138.02 58.22 Favored 'General case' 0 N--CA 1.428 -1.556 0 C-N-CA 127.769 2.427 . . . . 0.0 109.998 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -61.57 172.47 1.2 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.936 160.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -72.31 -53.87 11.14 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.81 -1.541 . . . . 0.0 108.439 -178.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -36.0 -34.82 0.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.389 2.676 . . . . 0.0 114.01 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 51' ' ' LYS . 4.3 mmtt -78.38 -2.41 38.16 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.069 -1.02 . . . . 0.0 111.309 -171.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 53.22 60.68 3.59 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 125.981 1.713 . . . . 0.0 111.558 164.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.22 125.45 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.426 -168.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.77 168.03 8.45 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 123.205 1.479 . . . . 0.0 112.117 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -87.02 129.54 34.85 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 112.424 -2.171 . . . . 0.0 107.976 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 pt -131.32 141.92 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 123.064 0.546 . . . . 0.0 112.035 -166.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 143.65 49.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.265 1.026 . . . . 0.0 108.924 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.38 -53.0 62.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.096 0.951 . . . . 0.0 110.383 -173.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.63 -36.43 15.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.971 173.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -40.05 85.66 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 117.435 -1.269 . . . . 0.0 109.075 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 pttm -56.68 -53.73 54.37 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 120.592 1.542 . . . . 0.0 109.512 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -53.49 -57.93 8.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.042 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -52.22 -37.94 56.54 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.923 0.889 . . . . 0.0 111.91 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.3 m -113.87 35.33 4.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.351 1.46 . . . . 0.0 112.161 -172.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.47 -55.87 0.96 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.396 0.998 . . . . 0.0 110.555 170.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.0 t -52.19 -31.81 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.04 1.336 . . . . 0.0 111.209 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -19.53 -66.42 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 128.355 2.662 . . . . 0.0 112.66 165.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -107.22 -33.65 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 C-N-CA 125.038 1.335 . . . . 0.0 108.753 -177.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.987 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.506 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 46.6 p-10 -126.34 145.24 50.52 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 124.777 1.231 . . . . 0.0 108.588 163.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.94 172.55 42.51 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -156.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -84.24 108.01 16.87 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.522 0.729 . . . . 0.0 110.192 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.31 137.87 33.21 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.523 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 27.6 m -142.3 152.14 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.612 0.765 . . . . 0.0 109.416 177.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -10.51 -75.86 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.795 2.838 . . . . 0.0 113.716 162.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t 172.58 -47.51 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 130.449 3.5 . . . . 0.0 105.109 -164.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p -86.07 -53.16 5.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.138 0.575 . . . . 0.0 109.978 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 148.88 34.62 0.05 OUTLIER Glycine 0 CA--C 1.533 1.169 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -76.19 87.73 3.05 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.223 1.512 . . . . 0.0 108.558 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.16 125.98 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.514 0.674 . . . . 0.0 110.728 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.6 m -82.24 62.35 5.91 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.788 0.835 . . . . 0.0 110.917 -174.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 179.72 0.96 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.143 0.429 . . . . 0.0 111.799 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 p 163.63 173.11 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 128.017 2.527 . . . . 0.0 111.129 -173.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -48.38 7.11 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.567 0.747 . . . . 0.0 111.185 162.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.95 73.55 3.54 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.995 -1.065 . . . . 0.0 111.601 -173.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -16.98 -52.72 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.895 2.878 . . . . 0.0 116.578 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -43.52 -39.67 3.52 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.945 1.298 . . . . 0.0 112.781 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.86 -52.9 17.41 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.418 0.687 . . . . 0.0 111.124 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -53.09 62.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -177.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -46.71 -57.23 5.04 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 124.71 1.204 . . . . 0.0 111.038 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -52.32 -56.41 15.03 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.326 1.45 . . . . 0.0 112.024 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.0 mm -55.49 -40.98 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -71.66 -42.78 67.09 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -168.145 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 t -59.97 -45.53 92.39 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 166.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -57.42 -41.85 81.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 117.972 0.351 . . . . 0.0 111.93 -172.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -104.22 -48.82 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 C-N-CA 124.461 1.105 . . . . 0.0 111.394 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -108.01 2.1 22.95 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.663 1.185 . . . . 0.0 112.263 -169.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 73.34 7.22 5.2 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.664 1.186 . . . . 0.0 112.91 176.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.05 127.91 34.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 119.035 0.834 . . . . 0.0 111.457 -174.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -77.23 -22.63 51.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.18 0.992 . . . . 0.0 112.032 -173.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -139.72 -177.31 4.9 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.57 171.88 14.76 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 107.965 -2.054 . . . . 0.0 107.965 -171.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -177.34 164.4 2.13 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.9 m -77.19 93.81 4.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.2 t -70.3 165.54 22.09 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.267 1.427 . . . . 0.0 109.265 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -11.04 -55.9 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 129.689 3.195 . . . . 0.0 115.481 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -152.76 38.55 0.53 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.667 0.787 . . . . 0.0 109.878 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.26 -169.49 1.82 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.906 -1.121 . . . . 0.0 111.593 -175.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.9 t -127.05 105.2 8.43 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.634 0.774 . . . . 0.0 112.812 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -82.66 153.59 25.32 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.612 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.5 m -147.05 154.13 40.82 Favored 'General case' 0 N--CA 1.42 -1.958 0 C-N-CA 125.849 1.66 . . . . 0.0 107.696 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -129.18 123.39 31.94 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.223 1.809 . . . . 0.0 109.157 176.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.42 41.82 8.22 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.199 1.38 . . . . 0.0 111.013 -177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.728 HD12 ' H ' ' A' ' 47' ' ' LEU . 3.5 mp -60.64 -179.38 0.12 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 118.199 0.999 . . . . 0.0 109.834 175.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -69.77 176.44 3.62 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 166.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -31.37 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 128.016 2.527 . . . . 0.0 110.895 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -165.26 116.42 1.12 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 145.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -57.63 -60.96 2.88 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 124.084 0.953 . . . . 0.0 108.973 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 167.05 56.88 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 128.364 2.665 . . . . 0.0 107.161 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.0 m -62.59 146.32 12.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 121.256 0.551 . . . . 0.0 110.472 -170.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -69.69 166.45 19.13 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 123.086 1.422 . . . . 0.0 109.525 169.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -131.16 133.57 45.7 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 112.419 -2.173 . . . . 0.0 107.257 -156.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 pt -129.63 141.48 46.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -147.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -59.73 158.85 9.57 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.787 1.635 . . . . 0.0 109.018 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.69 -42.73 67.06 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.877 1.671 . . . . 0.0 111.464 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.4 78.72 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.031 -0.418 . . . . 0.0 110.794 171.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -41.7 80.69 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -47.21 -60.44 2.48 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 125.495 1.518 . . . . 0.0 109.131 172.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.7 t -57.13 -52.89 63.47 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.181 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -53.76 -36.56 62.48 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.974 0.91 . . . . 0.0 112.256 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.7 m -121.91 37.83 4.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.531 1.133 . . . . 0.0 111.782 -170.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -128.59 -59.1 1.16 Allowed 'General case' 0 C--O 1.23 0.077 0 CA-C-N 119.237 0.926 . . . . 0.0 111.577 165.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.24 -30.76 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.256 1.022 . . . . 0.0 111.978 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -21.59 -68.54 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 129.926 3.291 . . . . 0.0 113.923 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.5 mm -85.59 -20.27 8.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.036 -171.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.682 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.343 0 CA-C-O 118.732 -0.651 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.524 ' HA ' HD13 ' A' ' 47' ' ' LEU . 12.1 p-10 -59.08 137.87 57.77 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 119.472 1.033 . . . . 0.0 109.704 166.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.1 169.46 40.78 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 -161.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -96.53 101.71 13.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.3 0.64 . . . . 0.0 109.328 -171.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.12 137.62 37.56 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 119.51 -0.281 . . . . 0.0 110.417 -169.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.486 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 29.7 m -104.53 147.21 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.004 0.522 . . . . 0.0 110.809 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 4.4 -78.82 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 128.152 2.581 . . . . 0.0 114.184 153.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t 175.81 -47.2 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 130.433 3.493 . . . . 0.0 104.742 -165.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -96.29 -54.6 3.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.65 1.18 . . . . 0.0 109.649 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.486 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 153.64 70.31 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 112.244 -0.342 . . . . 0.0 112.244 -165.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -140.71 148.03 40.12 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 103.897 -2.631 . . . . 0.0 103.897 168.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -131.53 151.41 35.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 CA-C-N 119.109 0.868 . . . . 0.0 109.273 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -79.68 119.89 23.24 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.12 -67.94 0.39 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 172.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p 57.94 175.07 0.06 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.838 2.455 . . . . 0.0 116.46 162.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.76 -47.54 1.53 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.823 1.649 . . . . 0.0 110.821 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.37 117.89 9.97 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.527 -0.733 . . . . 0.0 112.066 -172.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -64.56 -51.41 62.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.523 0.729 . . . . 0.0 111.066 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -52.08 -47.79 65.01 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.819 0.847 . . . . 0.0 110.692 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -48.32 -60.77 2.41 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.211 0.604 . . . . 0.0 110.188 175.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -47.37 86.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -173.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -49.51 -57.55 6.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.594 0.757 . . . . 0.0 112.074 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -52.81 -52.76 55.66 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.267 1.427 . . . . 0.0 111.45 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.2 mm -56.57 -43.97 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.262 0.5 OUTLIER -65.89 -41.91 90.92 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -172.791 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -66.78 -38.93 87.52 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.052 171.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -57.56 7.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 120.811 -1.181 . . . . 0.0 110.585 -174.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -88.36 -58.58 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 C-N-CA 125.28 1.432 . . . . 0.0 109.039 -167.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -87.4 -20.11 27.15 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.221 1.008 . . . . 0.0 112.368 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.287 92.8 m-85 64.04 49.43 2.74 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 126.143 1.777 . . . . 0.0 111.812 -176.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.62 152.75 22.32 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.617 1.167 . . . . 0.0 109.108 164.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 78.8 p -74.24 -30.4 62.13 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.347 -0.845 . . . . 0.0 110.914 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.0 -165.29 1.8 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.881 -0.58 . . . . 0.0 111.08 175.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.6 171.24 22.57 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 126.721 2.105 . . . . 0.0 108.427 -170.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -174.75 178.98 1.77 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 126.282 1.833 . . . . 0.0 107.127 173.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.8 m -76.93 91.22 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.041 0.937 . . . . 0.0 109.025 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -61.01 165.73 3.98 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.691 0.797 . . . . 0.0 110.004 168.595 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -22.61 -51.24 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.183 2.593 . . . . 0.0 114.56 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.45 44.83 0.71 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 168.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -162.84 172.45 15.15 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.084 -1.01 . . . . 0.0 110.525 -176.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.7 t -98.55 102.61 14.4 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 122.389 1.09 . . . . 0.0 110.249 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -71.87 154.87 40.97 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.205 171.759 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.53 ' C ' HD11 ' A' ' 47' ' ' LEU . 74.5 m -137.3 165.85 25.2 Favored 'General case' 0 N--CA 1.41 -2.426 0 O-C-N 125.105 1.503 . . . . 0.0 107.662 168.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -131.57 137.14 48.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.66 1.984 . . . . 0.0 107.426 174.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.88 43.08 75.84 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.787 0.708 . . . . 0.0 113.887 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.53 HD11 ' C ' ' A' ' 44' ' ' CYS . 0.4 OUTLIER -68.38 73.19 0.22 Allowed 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 128.495 2.718 . . . . 0.0 108.665 176.609 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -47.8 -67.2 0.3 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.489 0.661 . . . . 0.0 110.695 -172.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -71.95 149.37 45.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.578 158.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -138.73 105.8 5.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.897 2.079 . . . . 0.0 107.323 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -52.31 57.92 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 127.241 2.216 . . . . 0.0 108.553 -177.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 167.89 70.07 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 127.962 2.505 . . . . 0.0 107.91 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.61 155.03 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.174 176.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.35 170.63 1.69 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 123.068 1.413 . . . . 0.0 111.119 169.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -117.26 118.37 32.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 127.109 2.164 . . . . 0.0 105.754 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.7 pt -121.46 143.75 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 122.552 0.341 . . . . 0.0 111.248 -155.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.75 146.41 49.45 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.301 0.64 . . . . 0.0 110.304 -178.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.71 -51.74 68.29 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 122.231 1.015 . . . . 0.0 109.822 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.36 -36.54 43.56 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.853 -1.067 . . . . 0.0 112.528 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -41.95 64.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.792 0.724 . . . . 0.0 109.705 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -59.57 4.15 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.2 t -51.85 -52.96 45.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.699 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -50.64 -47.37 58.54 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.813 0.845 . . . . 0.0 110.913 175.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.0 m -84.57 -32.91 23.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 -166.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.71 -54.86 10.19 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.946 0.879 . . . . 0.0 110.058 -166.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.8 t -48.85 -37.17 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 126.102 1.761 . . . . 0.0 112.327 -177.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -36.62 -55.48 0.86 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 127.659 2.384 . . . . 0.0 112.462 -177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.7 mt -102.92 -41.72 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.339 0.117 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 175.727 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.28 -158.89 0.92 Allowed 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.56 ' HA ' HD11 ' A' ' 47' ' ' LEU . 18.3 p-10 -134.3 143.73 47.9 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.781 1.633 . . . . 0.0 108.206 168.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 169.25 41.28 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 111.519 -0.633 . . . . 0.0 111.519 -167.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -85.83 114.52 22.83 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 122.601 0.36 . . . . 0.0 110.374 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.02 112.6 20.34 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.227 0.611 . . . . 0.0 111.613 -169.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.419 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 35.4 m -115.71 137.75 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.629 1.572 . . . . 0.0 108.343 172.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -74.32 -60.19 2.38 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.34 0.656 . . . . 0.0 111.613 -158.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -141.99 -12.35 0.85 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -163.87 52.22 0.15 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.479 1.036 . . . . 0.0 109.644 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 77.41 -0.97 67.22 Favored Glycine 0 CA--C 1.527 0.803 0 O-C-N 121.664 -0.647 . . . . 0.0 114.053 168.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -73.28 115.66 12.89 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 166.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -55.57 155.23 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.506 0 C-N-CA 123.241 0.616 . . . . 0.0 111.051 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.9 t -70.2 52.18 0.13 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.394 1.078 . . . . 0.0 110.743 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 46.71 -120.65 1.07 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.296 1.838 . . . . 0.0 111.241 173.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.33 1.3 p 111.96 66.54 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 129.503 3.121 . . . . 0.0 111.787 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.07 -34.09 71.56 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 120.751 -1.218 . . . . 0.0 109.279 163.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD12 ' H ' ' A' ' 21' ' ' TYR . 1.1 pp -152.82 153.21 32.65 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.394 0.678 . . . . 0.0 110.333 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -56.9 -48.71 77.56 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.181 0.992 . . . . 0.0 111.775 -171.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -54.01 -39.64 66.27 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 119.533 -0.27 . . . . 0.0 110.882 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.418 ' H ' HD12 ' A' ' 18' ' ' LEU . 48.2 t80 -63.84 -52.59 59.42 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.319 0.648 . . . . 0.0 109.491 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -47.58 -54.41 11.85 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.302 0.572 . . . . 0.0 109.558 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -54.51 36.69 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.022 0.929 . . . . 0.0 110.215 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -53.15 -57.46 10.39 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.126 0.971 . . . . 0.0 112.117 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.3 mm -52.41 -45.14 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 124.962 1.305 . . . . 0.0 109.22 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -37.92 83.88 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -175.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.4 p -63.54 -39.45 94.45 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.268 170.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -67.28 -41.31 85.69 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.868 0.867 . . . . 0.0 112.313 -172.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.98 -36.53 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 C-N-CA 124.725 1.21 . . . . 0.0 111.63 -164.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -104.28 -24.64 13.09 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.092 1.357 . . . . 0.0 111.145 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.306 26.6 m-85 74.34 31.43 1.06 Allowed 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.279 1.832 . . . . 0.0 112.533 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.41 160.53 0.16 Allowed 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.044 0.938 . . . . 0.0 113.259 155.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -87.99 -39.82 14.38 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.854 0.862 . . . . 0.0 108.985 157.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 t -155.27 -160.8 1.09 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-N 119.265 0.939 . . . . 0.0 112.416 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.95 171.28 22.86 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 108.518 -1.833 . . . . 0.0 108.518 -166.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -178.13 174.45 1.35 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.691 0.796 . . . . 0.0 109.028 -173.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 92.5 m -69.41 92.62 0.61 Allowed 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 169.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.63 163.0 28.21 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 162.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -16.21 -54.74 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 129.12 2.968 . . . . 0.0 115.544 -170.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.14 24.6 1.79 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 m -161.83 162.1 29.26 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.022 -1.049 . . . . 0.0 111.048 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 109.79 1.01 Allowed 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 162.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.11 155.87 36.62 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 156.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -140.43 147.17 39.26 Favored 'General case' 0 N--CA 1.414 -2.273 0 O-C-N 124.563 1.164 . . . . 0.0 109.024 162.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -116.17 106.12 13.35 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 128.813 2.845 . . . . 0.0 105.059 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.27 -10.15 9.38 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.958 1.742 . . . . 0.0 114.705 168.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.74 HD12 ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -28.86 108.07 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.546 1.938 . . . . 0.0 109.559 173.645 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.93 -59.25 2.28 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.57 1.948 . . . . 0.0 106.925 -170.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -71.32 157.72 37.6 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.988 157.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' OD1' HG13 ' A' ' 53' ' ' VAL . 15.0 t0 -143.42 97.23 3.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 123.739 1.733 . . . . 0.0 107.148 -178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -56.9 -51.59 68.49 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.358 -2.201 . . . . 0.0 109.249 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 168.45 56.05 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 128.421 2.689 . . . . 0.0 107.357 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.557 HG11 HD22 ' A' ' 47' ' ' LEU . 32.1 m -62.72 140.08 20.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.257 -168.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.62 167.7 20.2 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 123.309 1.528 . . . . 0.0 112.148 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -93.03 105.34 17.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 112.093 -2.321 . . . . 0.0 109.09 -172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.18 137.7 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 122.909 0.484 . . . . 0.0 109.934 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.48 151.07 42.73 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 174.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.45 -57.66 11.35 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.897 0.771 . . . . 0.0 109.214 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.58 30.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.272 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -40.81 63.96 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.897 0.772 . . . . 0.0 110.001 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -58.93 5.9 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 175.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.4 m -51.97 -54.73 26.23 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 125.557 1.543 . . . . 0.0 109.716 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -48.17 -49.38 32.85 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 124.102 0.961 . . . . 0.0 110.859 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.1 m -94.69 20.34 8.74 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.14 0.976 . . . . 0.0 113.113 -172.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.76 -69.28 0.76 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 119.878 1.217 . . . . 0.0 109.133 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.2 t -48.73 -37.47 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 126.355 1.862 . . . . 0.0 111.621 -168.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -24.63 -61.1 0.06 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 128.162 2.585 . . . . 0.0 112.631 166.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.8 mt -116.77 -43.47 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 125.803 1.641 . . . . 0.0 109.664 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.3 mt . . . . . 0 C--N 1.339 0.144 0 C-N-CA 125.028 1.331 . . . . 0.0 108.554 176.78 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 120.714 0.293 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -149.53 0.39 Allowed 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 150.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -49.12 152.71 1.07 Allowed 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.777 -1.202 . . . . 0.0 110.046 158.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.14 -160.46 17.33 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 108.196 -1.962 . . . . 0.0 108.196 169.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -106.03 126.54 52.32 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 166.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.91 138.36 36.14 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.867 HG11 HD13 ' A' ' 54' ' ' LEU . 16.6 m -124.15 144.61 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 122.952 0.501 . . . . 0.0 111.067 -173.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -77.76 -117.58 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.568 2.347 . . . . 0.0 110.623 -166.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 t -72.39 63.5 0.56 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.281 1.432 . . . . 0.0 108.663 165.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m 85.47 68.1 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.971 1.308 . . . . 0.0 109.226 154.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.425 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 85.36 -4.8 85.07 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 114.386 -1.279 . . . . 0.0 113.574 172.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -68.12 145.49 54.34 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 163.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.423 ' CG1' HG12 ' A' ' 7' ' ' VAL . 23.4 m -143.77 155.71 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.843 1.257 . . . . 0.0 109.291 -176.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.4 m -71.38 108.32 4.76 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 160.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.17 -65.2 0.72 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.999 0.919 . . . . 0.0 109.0 173.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.0 p 56.91 -179.51 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.726 2.41 . . . . 0.0 116.234 160.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.21 -46.53 1.11 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.798 1.639 . . . . 0.0 111.329 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.67 117.59 10.58 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.271 -0.893 . . . . 0.0 112.544 -170.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -61.56 -55.98 24.98 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.262 1.025 . . . . 0.0 111.221 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -53.87 -46.82 71.44 Favored 'General case' 0 N--CA 1.458 -0.056 0 C-N-CA 123.52 0.728 . . . . 0.0 110.944 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -50.04 -56.15 11.92 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.888 0.875 . . . . 0.0 110.475 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -42.77 98.51 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.358 -175.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -42.76 65.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.243 0.617 . . . . 0.0 110.904 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.42 -56.5 21.28 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 121.47 -0.768 . . . . 0.0 110.868 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 mm -59.31 -43.14 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.099 0.476 . . . . 0.0 109.965 -177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 25.2 m -46.07 -60.36 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.367 1.867 . . . . 0.0 110.403 173.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 t -72.72 -24.4 60.98 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.683 1.129 . . . . 0.0 113.551 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -79.74 -52.26 8.17 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 119.56 1.073 . . . . 0.0 112.27 -168.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 t -101.48 -51.77 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 126.243 1.817 . . . . 0.0 107.991 -171.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -80.29 -41.16 25.47 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.252 -167.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.326 28.5 m-85 83.62 51.1 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.181 2.192 . . . . 0.0 111.151 -176.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -78.37 -167.28 1.01 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.461 155.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -112.9 -57.18 2.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.021 1.329 . . . . 0.0 109.488 158.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.78 -162.73 0.83 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.515 1.126 . . . . 0.0 109.988 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.92 178.47 24.88 Favored Glycine 0 C--N 1.342 0.912 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -178.7 170.18 1.61 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.113 1.365 . . . . 0.0 108.721 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 60.3 m -75.84 86.14 2.81 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.2 t -62.87 164.57 7.86 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -7.99 -57.37 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 129.953 3.301 . . . . 0.0 115.204 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.52 39.83 0.57 Allowed 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 170.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -164.56 170.6 15.61 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 120.842 -1.161 . . . . 0.0 112.016 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.58 97.76 11.38 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.867 1.317 . . . . 0.0 112.115 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.42 152.2 44.47 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-N 112.726 -2.034 . . . . 0.0 109.323 164.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.896 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.255 5.0 m -148.78 141.94 25.0 Favored 'General case' 0 N--CA 1.418 -2.052 0 O-C-N 125.649 1.843 . . . . 0.0 106.673 -176.394 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -103.51 143.74 32.33 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 119.358 0.981 . . . . 0.0 109.654 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.55 57.5 9.34 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 124.36 0.981 . . . . 0.0 111.879 174.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.896 HD21 ' HB3' ' A' ' 44' ' ' CYS . 4.2 mt -61.29 126.97 29.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 169.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -96.16 -71.22 0.68 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -62.66 152.81 34.27 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 156.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -139.84 94.61 2.79 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 124.213 1.959 . . . . 0.0 107.079 -169.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -71.84 62.29 0.42 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 112.685 -2.052 . . . . 0.0 108.538 167.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 42.07 70.83 0.25 Allowed 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.98 2.112 . . . . 0.0 111.9 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.726 ' CG1' HD12 ' A' ' 47' ' ' LEU . 15.3 m -52.62 145.61 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.922 0.868 . . . . 0.0 112.955 -170.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.867 HD13 HG11 ' A' ' 7' ' ' VAL . 1.6 tp -63.61 166.96 6.2 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 123.542 1.639 . . . . 0.0 111.194 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 116.37 22.5 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 111.78 -2.464 . . . . 0.0 105.187 -175.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 pt -133.35 148.68 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 -153.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 144.01 25.58 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.56 -51.0 71.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 122.313 1.054 . . . . 0.0 109.853 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.67 50.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.359 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -40.93 66.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -60.96 2.58 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 174.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 t -47.41 -60.66 2.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.29 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -46.16 -44.68 16.11 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.288 1.435 . . . . 0.0 111.583 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.1 m -112.18 27.45 9.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 117.444 -1.265 . . . . 0.0 113.586 -169.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -127.91 -44.43 1.47 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.845 1.657 . . . . 0.0 110.101 173.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.11 -27.19 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 124.64 1.176 . . . . 0.0 112.669 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -43.42 -70.35 0.11 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 127.951 2.5 . . . . 0.0 113.766 -167.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.6 mt -93.38 -62.2 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.3 mt . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 124.844 1.258 . . . . 0.0 111.466 -174.543 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm . . . . . 0 CA--C 1.526 0.024 0 CA-C-O 121.723 0.773 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -155.68 0.32 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 172.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -67.32 143.11 56.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 158.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.05 -175.89 43.81 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -172.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -90.31 133.5 34.92 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 119.459 -0.305 . . . . 0.0 110.485 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -87.65 142.17 28.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.287 0.367 . . . . 0.0 110.285 174.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.414 HG11 HD13 ' A' ' 54' ' ' LEU . 11.3 m -135.31 152.52 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.592 0.757 . . . . 0.0 110.009 168.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.3 -63.64 0.9 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 126.243 1.817 . . . . 0.0 110.986 173.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 t -162.65 -47.01 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 128.251 2.62 . . . . 0.0 108.243 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 t -103.68 -42.48 5.63 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.025 1.33 . . . . 0.0 109.855 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.409 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 112.28 73.79 0.67 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 115.467 0.947 . . . . 0.0 115.467 167.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -72.7 77.71 1.11 Allowed 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 152.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 m -49.5 127.04 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 110.911 -173.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -81.51 53.88 2.21 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.727 0.811 . . . . 0.0 111.227 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -36.46 -84.84 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 128.058 2.543 . . . . 0.0 113.833 -167.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 162.5 0.26 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.052 1.741 . . . . 0.0 113.902 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -106.1 -41.79 5.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.008 1.323 . . . . 0.0 111.84 167.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.92 72.79 3.51 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.852 -1.155 . . . . 0.0 111.784 -176.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -6.77 -64.71 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 129.121 2.969 . . . . 0.0 116.837 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -49.21 -35.2 16.59 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.472 1.109 . . . . 0.0 112.779 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -45.85 -48.87 15.8 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 122.806 0.442 . . . . 0.0 111.384 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.37 -50.38 65.76 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.287 -0.864 . . . . 0.0 109.633 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -44.94 -51.14 10.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.325 1.05 . . . . 0.0 112.279 170.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -55.68 -57.63 11.16 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.626 0.77 . . . . 0.0 111.355 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.11 -37.6 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 123.511 0.724 . . . . 0.0 110.055 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 m -57.2 -51.13 70.57 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 125.553 1.541 . . . . 0.0 109.052 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -42.94 72.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 119.547 -0.861 . . . . 0.0 111.187 176.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -62.61 -52.75 62.13 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.433 -0.792 . . . . 0.0 111.855 -171.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.57 -44.74 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 C-N-CA 126.085 1.754 . . . . 0.0 110.32 -170.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -94.41 -8.63 38.12 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.01 0.924 . . . . 0.0 112.202 -171.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 59.33 33.73 22.59 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.836 0.855 . . . . 0.0 110.696 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.41 148.61 22.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.495 1.518 . . . . 0.0 108.678 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -75.06 -36.71 61.78 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.477 -0.765 . . . . 0.0 111.172 -171.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -145.34 -164.4 1.93 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.579 1.551 . . . . 0.0 107.834 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.25 173.91 23.01 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -174.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.92 169.88 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.688 1.195 . . . . 0.0 108.35 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.0 m -86.75 93.57 9.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -174.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.15 163.95 26.11 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.62 1.568 . . . . 0.0 109.828 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -5.58 -62.37 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 130.548 3.539 . . . . 0.0 114.75 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.29 44.89 0.55 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.801 0.841 . . . . 0.0 109.92 172.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.22 179.79 4.36 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 120.795 -1.191 . . . . 0.0 110.212 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.2 t -114.74 111.0 20.59 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 123.414 0.686 . . . . 0.0 112.209 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.23 144.63 31.45 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.114 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.6 ' CB ' HD21 ' A' ' 47' ' ' LEU . 1.5 m -134.74 141.31 46.45 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -103.89 137.75 41.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 119.543 1.065 . . . . 0.0 108.598 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.05 63.53 4.19 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.6 HD21 ' CB ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -62.39 75.04 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 117.467 0.634 . . . . 0.0 109.765 169.462 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.29 -57.14 11.57 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.973 0.892 . . . . 0.0 110.413 -171.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.33 -52.09 6.01 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.952 2.101 . . . . 0.0 110.688 169.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 t0 69.65 88.66 0.11 Allowed 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 129.772 3.229 . . . . 0.0 109.167 -176.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -67.73 -54.66 17.52 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.828 -169.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 175.14 59.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.955 2.102 . . . . 0.0 105.395 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.76 137.29 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.369 -156.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD13 HG11 ' A' ' 7' ' ' VAL . 1.4 tp -77.03 171.91 14.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 124.102 1.905 . . . . 0.0 114.302 -161.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -83.11 63.86 7.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 111.841 -2.436 . . . . 0.0 109.616 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pt -54.72 133.5 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.107 0.48 . . . . 0.0 110.718 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.3 147.5 48.04 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.27 -42.74 99.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 123.037 1.399 . . . . 0.0 110.988 -170.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.53 -41.63 77.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.705 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -42.42 68.83 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 118.815 0.734 . . . . 0.0 109.15 -178.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -49.95 -60.35 3.01 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.314 1.446 . . . . 0.0 108.613 173.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -53.07 -55.18 25.82 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.496 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -50.75 -42.81 57.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.921 0.889 . . . . 0.0 111.501 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.1 m -113.02 39.43 2.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.223 1.409 . . . . 0.0 111.862 -169.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -128.88 -55.6 1.2 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.892 1.223 . . . . 0.0 111.465 165.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.88 -29.0 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.663 1.185 . . . . 0.0 111.966 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -19.72 -66.76 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 129.677 3.191 . . . . 0.0 114.029 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mm -85.83 -17.84 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.447 0.699 . . . . 0.0 110.654 -171.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 177.574 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.308 0.575 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.424 ' HD3' ' H ' ' A' ' 3' ' ' ASN . 0.3 OUTLIER -163.58 -84.97 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 -154.658 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.482 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 22.2 p30 -127.9 158.56 37.47 Favored 'General case' 0 N--CA 1.428 -1.573 0 C-N-CA 127.621 2.369 . . . . 0.0 105.558 158.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.47 175.24 32.28 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 -167.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -79.61 106.6 11.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 124.283 0.637 . . . . 0.0 109.885 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.89 131.08 38.38 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 8.4 m -109.25 142.89 20.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 123.632 0.773 . . . . 0.0 109.717 -175.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -22.18 -109.5 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 131.097 3.759 . . . . 0.0 114.34 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -124.08 36.59 4.59 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.623 1.569 . . . . 0.0 107.042 153.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 t -154.22 -66.36 0.14 Allowed 'General case' 0 C--N 1.343 0.289 0 O-C-N 121.831 -0.543 . . . . 0.0 112.372 -175.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 157.4 -37.57 0.55 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 -161.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -24.27 127.88 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.658 1.183 . . . . 0.0 110.371 143.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.8 m -95.97 -176.78 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.205 1.002 . . . . 0.0 109.971 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 t -139.45 144.16 37.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 162.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -119.92 -175.49 2.98 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.097 1.759 . . . . 0.0 108.562 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.5 p 161.03 -178.16 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 127.951 2.5 . . . . 0.0 109.445 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.81 -41.42 8.46 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.851 1.26 . . . . 0.0 111.418 164.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.96 123.6 22.41 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.387 -0.82 . . . . 0.0 113.205 -169.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -54.59 -44.54 73.09 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.701 -0.624 . . . . 0.0 110.183 163.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -55.67 -44.24 77.09 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.745 1.218 . . . . 0.0 111.802 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -53.56 -53.32 53.38 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -52.09 62.68 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.107 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -42.33 -50.05 5.06 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 120.268 1.394 . . . . 0.0 111.946 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -56.64 -59.34 5.15 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 119.413 -0.327 . . . . 0.0 111.149 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mm -53.9 -56.61 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.14 0.976 . . . . 0.0 110.574 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 21.0 m -36.97 -56.88 0.85 Allowed 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 128.538 2.735 . . . . 0.0 111.339 173.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.11 -31.65 44.28 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.212 -175.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -65.05 -47.98 75.45 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.857 0.863 . . . . 0.0 110.584 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.2 t -106.32 -45.77 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 C-N-CA 124.73 1.212 . . . . 0.0 110.304 -167.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -100.88 -9.69 21.37 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.382 1.073 . . . . 0.0 111.93 -171.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.26 39.9 m-85 64.36 27.87 13.69 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.734 1.614 . . . . 0.0 113.439 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -81.69 143.22 32.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 122.749 0.419 . . . . 0.0 110.919 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -65.16 -43.39 91.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.566 0.698 . . . . 0.0 111.373 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 t -155.96 -164.55 1.73 Allowed 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.511 -0.743 . . . . 0.0 109.936 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.06 176.02 25.12 Favored Glycine 0 C--N 1.332 0.31 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 -154.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -170.53 164.72 8.47 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.3 m -75.14 91.09 2.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.6 t -67.84 165.05 18.32 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.449 1.499 . . . . 0.0 109.133 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -13.59 -57.93 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 129.071 2.948 . . . . 0.0 114.417 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.76 48.5 0.87 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.973 0.416 . . . . 0.0 111.669 170.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 t -168.74 -169.92 1.1 Allowed 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.179 -0.95 . . . . 0.0 109.952 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 t -117.06 107.03 14.03 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 124.558 1.143 . . . . 0.0 110.168 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.92 147.51 45.21 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.504 -1.226 . . . . 0.0 107.983 170.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -135.73 160.32 38.9 Favored 'General case' 0 N--CA 1.426 -1.641 0 C-N-CA 125.946 1.698 . . . . 0.0 108.018 172.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -127.15 23.52 6.47 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.65 1.98 . . . . 0.0 113.882 -172.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.28 49.84 0.2 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 169.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.735 HD12 ' H ' ' A' ' 47' ' ' LEU . 2.8 mp -60.01 163.59 4.61 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 122.248 1.023 . . . . 0.0 109.761 -178.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -67.24 -160.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.435 -1.711 . . . . 0.0 106.89 163.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.56 -171.35 0.12 Allowed 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.742 -0.599 . . . . 0.0 110.738 174.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -83.45 72.04 10.27 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 124.412 2.053 . . . . 0.0 109.515 -172.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 55.4 0.17 Allowed 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 112.682 -2.054 . . . . 0.0 109.738 161.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.2 63.09 2.34 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.272 1.829 . . . . 0.0 111.826 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 m -62.9 137.3 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 167.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.17 169.4 3.52 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 123.224 1.488 . . . . 0.0 111.69 -173.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -100.22 112.89 25.23 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 112.718 -2.037 . . . . 0.0 106.15 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 56' ' ' ILE . 21.1 pt -112.06 145.44 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 123.422 0.689 . . . . 0.0 109.591 -163.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 150.7 40.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -176.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -58.67 -61.72 2.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.969 0.89 . . . . 0.0 110.567 -170.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.73 -41.37 56.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.953 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.1 p -71.55 -31.31 66.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.081 -0.648 . . . . 0.0 112.312 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -65.85 0.57 Allowed 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 105.943 -1.873 . . . . 0.0 105.943 171.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -47.02 -49.16 21.58 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.655 0.782 . . . . 0.0 112.211 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -48.52 -49.75 34.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.415 1.086 . . . . 0.0 111.111 171.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.0 m -102.85 34.82 2.7 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.381 1.872 . . . . 0.0 112.622 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -118.37 -76.99 0.57 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.293 1.037 . . . . 0.0 109.227 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.48 -21.57 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 123.958 0.903 . . . . 0.0 111.458 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -19.98 -64.85 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 130.331 3.452 . . . . 0.0 114.86 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.34 -14.87 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.367 0.667 . . . . 0.0 111.688 -169.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.4 mt . . . . . 0 CA--C 1.532 0.257 0 O-C-N 121.055 -1.028 . . . . 0.0 108.478 -179.559 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 48' ' ' ASP . 33.3 mttt . . . . . 0 CA--C 1.532 0.275 0 CA-C-O 121.468 0.651 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -77.54 -178.21 5.15 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.403 ' CB ' ' HA ' ' A' ' 45' ' ' PHE . 42.1 p-10 -73.01 147.21 45.34 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 153.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.88 -161.51 32.79 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 107.09 -2.404 . . . . 0.0 107.09 -159.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.4 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 9.4 m-30 -102.57 139.17 38.51 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 117.217 0.509 . . . . 0.0 110.56 175.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.85 130.52 42.77 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.708 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.501 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 3.6 m -113.04 147.94 16.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 O-C-N 123.102 0.251 . . . . 0.0 110.699 167.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -15.27 -76.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 128.966 2.906 . . . . 0.0 113.124 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 164.38 -44.3 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 130.834 3.654 . . . . 0.0 105.405 -164.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 p -95.53 19.19 11.38 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.772 2.029 . . . . 0.0 110.609 172.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.501 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 77.79 35.58 35.29 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.272 0.939 . . . . 0.0 114.442 162.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.2 127.0 55.46 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.08 151.55 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.8 t -67.59 137.62 55.81 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 166.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -46.08 -64.91 0.63 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.922 1.689 . . . . 0.0 110.129 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.286 0.7 OUTLIER 73.58 99.89 0.07 Allowed 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 127.025 2.13 . . . . 0.0 112.263 -178.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.71 -35.41 75.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.917 172.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 21' ' ' TYR . 1.1 pp -159.37 160.73 35.31 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.771 0.796 . . . . 0.0 111.49 -172.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -62.55 -46.98 85.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.373 1.069 . . . . 0.0 111.957 -170.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -55.68 -48.05 75.73 Favored 'General case' 0 CA--C 1.526 0.055 0 CA-C-O 119.691 -0.195 . . . . 0.0 110.595 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' H ' HD12 ' A' ' 18' ' ' LEU . 5.7 t80 -53.23 -53.63 47.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.5 t -53.09 -57.81 9.15 Favored 'General case' 0 C--O 1.225 -0.218 0 O-C-N 123.062 0.226 . . . . 0.0 110.779 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -50.36 -56.15 12.57 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.425 1.49 . . . . 0.0 111.453 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -51.86 -54.4 29.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 124.458 1.103 . . . . 0.0 111.423 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 mm -55.26 -46.1 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 123.814 0.846 . . . . 0.0 109.254 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.365 0.1 OUTLIER -67.13 -37.87 84.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -170.159 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.1 t -70.45 -37.83 74.39 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.607 167.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -66.16 -41.74 89.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 119.346 0.975 . . . . 0.0 110.852 -170.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -98.04 -62.9 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.338 0 C-N-CA 125.648 1.579 . . . . 0.0 108.262 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -90.07 -4.93 57.08 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.446 0.698 . . . . 0.0 112.838 -164.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 52.38 37.19 21.87 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 124.862 1.265 . . . . 0.0 111.9 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.42 140.88 44.99 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 167.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -76.22 -5.66 47.84 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.611 -0.681 . . . . 0.0 112.734 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.0 -165.47 0.24 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.992 1.317 . . . . 0.0 108.783 174.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.84 169.27 22.04 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 127.219 2.342 . . . . 0.0 107.629 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -175.17 169.2 3.32 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.314 1.446 . . . . 0.0 109.267 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.75 89.66 2.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.241 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.91 163.04 12.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 160.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.617 ' CD1' HG22 ' A' ' 60' ' ' THR . 8.4 mt -22.98 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 128.916 2.886 . . . . 0.0 116.352 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -149.59 32.96 0.7 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.743 0.701 . . . . 0.0 111.483 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.31 168.0 15.46 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 121.076 -1.015 . . . . 0.0 112.902 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.08 102.58 10.32 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.386 1.074 . . . . 0.0 110.559 169.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -59.99 151.35 26.52 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 113.932 -1.485 . . . . 0.0 107.814 151.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' CB ' HD21 ' A' ' 47' ' ' LEU . 16.5 m -157.55 131.64 8.22 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 -171.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.403 ' HA ' ' CB ' ' A' ' 3' ' ' ASN . 40.4 m-85 -100.34 128.91 46.29 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 119.034 0.834 . . . . 0.0 111.892 -169.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.85 61.17 7.1 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD21 ' CB ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -58.89 120.82 9.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -175.451 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' OD1' ' NZ ' ' A' ' 1' ' ' LYS . 58.8 t0 -83.7 -57.37 3.25 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -48.11 -47.0 34.66 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.819 172.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.479 ' OD1' HG13 ' A' ' 53' ' ' VAL . 66.9 t0 45.44 81.46 0.04 OUTLIER 'General case' 0 C--N 1.341 0.239 0 CA-C-O 124.686 2.184 . . . . 0.0 110.681 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -75.46 71.32 2.4 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 111.645 -2.525 . . . . 0.0 108.889 161.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.95 57.52 6.46 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.749 1.22 . . . . 0.0 110.983 166.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.479 HG13 ' OD1' ' A' ' 50' ' ' ASP . 10.1 m -38.06 128.67 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 O-C-N 124.564 1.165 . . . . 0.0 112.015 -162.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.403 HD13 ' CG1' ' A' ' 7' ' ' VAL . 1.1 tp -65.12 170.51 4.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 123.594 1.664 . . . . 0.0 112.597 -171.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.64 121.91 44.53 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 111.696 -2.502 . . . . 0.0 107.673 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.24 150.23 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.859 1.664 . . . . 0.0 108.19 -172.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' NZ ' HG21 ' A' ' 60' ' ' THR . 1.5 mtmt -73.2 154.97 40.05 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 175.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.86 -43.58 83.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 122.877 1.323 . . . . 0.0 110.488 -169.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.5 72.67 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.588 171.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.617 HG22 ' CD1' ' A' ' 39' ' ' LEU . 59.7 p -69.27 -41.27 77.09 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 118.687 0.676 . . . . 0.0 111.522 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -49.5 -59.81 3.41 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 t -51.17 -56.15 14.27 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.407 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -50.01 -43.86 50.91 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.736 0.814 . . . . 0.0 110.908 176.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.2 m -106.72 34.35 3.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.071 1.348 . . . . 0.0 112.214 -169.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -125.7 -59.63 1.35 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.93 1.241 . . . . 0.0 112.072 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.17 -24.27 23.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.765 1.226 . . . . 0.0 112.089 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -20.43 -67.61 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 129.527 3.131 . . . . 0.0 113.591 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mm -89.71 -47.28 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.566 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.211 0 N-CA-C 110.699 -0.111 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.403 ' H ' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -136.13 155.24 50.47 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 128.352 2.661 . . . . 0.0 105.852 172.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -35.65 117.19 0.42 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.36 1.464 . . . . 0.0 110.585 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 -159.18 7.87 Favored Glycine 0 N--CA 1.459 0.185 0 N-CA-C 108.042 -2.023 . . . . 0.0 108.042 -166.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.02 156.34 24.27 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.047 154.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.465 ' HB1' ' CZ ' ' A' ' 30' ' ' TYR . . . -86.15 139.54 30.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.789 176.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 m -137.08 143.67 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 149.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -158.05 0.37 Allowed 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.115 0.884 . . . . 0.0 111.175 -172.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t -72.91 48.54 0.21 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.526 -1.216 . . . . 0.0 109.244 154.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -165.87 -53.77 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.368 1.067 . . . . 0.0 109.687 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.32 31.88 66.97 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 123.502 0.572 . . . . 0.0 113.445 -171.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.28 81.59 0.09 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 157.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 m -46.81 121.95 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 122.006 0.908 . . . . 0.0 112.054 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.8 m -78.08 75.62 4.61 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -47.59 -62.39 1.47 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.814 1.245 . . . . 0.0 109.374 169.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.3 p 56.94 178.4 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.753 2.421 . . . . 0.0 115.577 169.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -50.2 0.95 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.503 1.521 . . . . 0.0 110.029 173.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.97 75.05 5.49 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.076 -1.015 . . . . 0.0 111.72 -171.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -18.79 -50.62 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.831 2.852 . . . . 0.0 116.293 174.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -48.34 -47.72 36.79 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.846 1.258 . . . . 0.0 111.424 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.59 -50.51 69.92 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.922 0.889 . . . . 0.0 109.749 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.29 -53.37 58.08 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.041 0.448 . . . . 0.0 109.802 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -47.46 65.29 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.719 1.208 . . . . 0.0 110.015 176.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.73 -56.17 24.91 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 121.791 -0.568 . . . . 0.0 111.836 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.9 mm -53.56 -50.93 46.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.987 0.915 . . . . 0.0 109.888 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 7.0 m -46.22 -50.92 15.25 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.569 1.947 . . . . 0.0 110.655 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -76.66 -31.67 57.45 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.644 -1.285 . . . . 0.0 112.751 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -46.18 63.42 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.225 -0.922 . . . . 0.0 110.702 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 t -105.16 -53.2 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 C-N-CA 125.485 1.514 . . . . 0.0 109.294 -172.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.465 ' CZ ' ' HB1' ' A' ' 6' ' ' ALA . 98.2 m-85 -75.96 -45.21 36.1 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.174 -167.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.306 21.3 m-85 82.97 31.85 0.08 Allowed 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 126.341 1.856 . . . . 0.0 111.037 -171.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -50.71 162.17 0.28 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.994 144.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 t -92.31 -22.31 19.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.783 0.833 . . . . 0.0 111.912 164.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -167.48 -157.11 0.22 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.33 174.29 31.0 Favored Glycine 0 C--N 1.338 0.653 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 -170.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.45 172.43 7.1 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.447 1.099 . . . . 0.0 109.533 177.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.0 m -76.73 89.46 3.39 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 125.835 1.654 . . . . 0.0 108.98 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.5 t -83.89 163.67 19.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.792 1.237 . . . . 0.0 109.733 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -39.67 -21.49 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 129.892 3.277 . . . . 0.0 117.557 -167.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.02 22.1 0.37 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.087 1.312 . . . . 0.0 113.658 166.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -173.44 -173.81 0.93 Allowed 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.038 -1.039 . . . . 0.0 109.854 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 104.58 17.15 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 125.354 1.461 . . . . 0.0 109.987 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.13 147.89 28.46 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-N 114.559 -1.201 . . . . 0.0 109.294 161.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.737 ' CB ' HD21 ' A' ' 47' ' ' LEU . 17.0 m -136.48 117.77 14.59 Favored 'General case' 0 N--CA 1.413 -2.317 0 O-C-N 125.659 1.849 . . . . 0.0 106.41 172.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -75.32 151.42 38.28 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.054 0.942 . . . . 0.0 109.826 170.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.52 48.9 27.77 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 124.762 1.172 . . . . 0.0 112.234 172.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.737 HD21 ' CB ' ' A' ' 44' ' ' CYS . 49.8 mt -63.18 146.89 52.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 163.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -133.16 -51.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.833 0.853 . . . . 0.0 110.024 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -62.39 165.28 6.24 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.607 157.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -143.34 100.98 3.72 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 170.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -56.01 7.56 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.818 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -177.91 57.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.254 2.222 . . . . 0.0 107.045 170.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.585 HG11 HD13 ' A' ' 47' ' ' LEU . 20.0 m -60.17 151.09 5.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.125 0.488 . . . . 0.0 110.125 -168.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.6 161.13 31.27 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 123.513 1.625 . . . . 0.0 110.87 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -124.8 70.46 1.14 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 111.617 -2.538 . . . . 0.0 105.946 -157.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 pt -90.06 157.8 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.849 -150.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -61.69 145.08 53.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.373 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 2.6 m-20 -62.18 -39.81 93.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.524 2.33 . . . . 0.0 110.929 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.13 -60.98 2.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.756 166.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -38.48 80.86 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 58' ' ' ASP . 9.6 mttt -48.68 -55.01 12.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.825 0.739 . . . . 0.0 110.583 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.3 t -63.21 -56.55 15.69 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.343 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -51.63 -30.69 22.39 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 126.471 1.909 . . . . 0.0 112.22 -175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.4 m -120.83 33.23 5.64 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.745 -1.121 . . . . 0.0 111.035 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -137.71 -51.37 0.62 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.154 1.343 . . . . 0.0 111.585 164.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.71 -35.3 13.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.679 1.192 . . . . 0.0 110.824 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -20.35 -66.54 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 128.69 2.796 . . . . 0.0 113.045 165.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.1 mt -100.41 -40.66 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.6 mm . . . . . 0 C--O 1.231 0.117 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.137 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.9 tttp . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 122.372 1.082 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.92 -174.17 2.97 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.843 2.057 . . . . 0.0 108.466 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.447 ' CB ' ' HA ' ' A' ' 45' ' ' PHE . 12.0 p-10 -65.04 108.08 1.71 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.002 -1.061 . . . . 0.0 108.804 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.6 -167.6 16.51 Favored Glycine 0 CA--C 1.522 0.485 0 C-N-CA 126.02 1.771 . . . . 0.0 109.166 -166.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -106.36 147.28 29.42 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 118.803 -1.159 . . . . 0.0 108.37 146.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.85 137.44 40.15 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 125.221 1.576 . . . . 0.0 109.517 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.531 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -102.64 161.99 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.223 0.609 . . . . 0.0 110.07 165.303 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -52.03 168.48 0.09 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.759 1.223 . . . . 0.0 111.051 165.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -52.31 -20.7 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.652 -1.613 . . . . 0.0 112.536 169.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 p -125.79 31.98 5.38 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.674 1.124 . . . . 0.0 111.707 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.531 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 78.55 42.65 13.6 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 114.275 0.47 . . . . 0.0 114.275 157.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -123.64 131.7 53.68 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.608 0.763 . . . . 0.0 109.538 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 m -76.22 136.33 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 122.994 0.518 . . . . 0.0 110.152 -176.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -82.9 68.94 9.59 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 177.49 2.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.007 0.432 . . . . 0.0 110.828 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.7 p 160.96 174.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 126.847 2.059 . . . . 0.0 111.167 -162.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.12 -42.14 9.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.919 0.888 . . . . 0.0 111.156 162.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.69 117.03 12.75 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.351 -0.843 . . . . 0.0 113.156 -168.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -48.96 -51.4 30.59 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.18 0.992 . . . . 0.0 110.999 170.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -56.47 -49.88 73.37 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.704 0.801 . . . . 0.0 110.497 -174.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -49.92 -60.0 3.33 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.043 0.937 . . . . 0.0 110.247 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -51.48 -53.8 33.63 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.451 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -49.45 75.69 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -176.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -52.64 -53.23 49.92 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 124.561 1.144 . . . . 0.0 110.795 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.9 mm -60.6 -48.34 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.267 0.627 . . . . 0.0 109.896 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -37.09 85.83 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.92 -168.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.7 t -76.04 -47.58 24.2 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 123.324 0.39 . . . . 0.0 111.204 169.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -52.6 -52.5 55.05 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.875 0.87 . . . . 0.0 110.786 -170.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 t -89.26 -60.25 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 C-N-CA 124.268 1.027 . . . . 0.0 108.591 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.48 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -109.64 17.64 21.1 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.382 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 p90 54.65 36.42 26.02 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 159.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HB2' ' CD2' ' A' ' 47' ' ' LEU . . . -62.71 -173.68 0.05 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.561 0.344 . . . . 0.0 110.119 147.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.9 p -108.01 -93.1 0.41 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.433 1.093 . . . . 0.0 108.798 168.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -83.45 -164.84 0.96 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.014 1.326 . . . . 0.0 109.328 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.16 170.51 16.87 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 -174.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -175.07 160.4 2.75 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.033 1.733 . . . . 0.0 108.766 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.0 m -75.37 88.5 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.69 168.89 4.43 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.921 1.289 . . . . 0.0 108.561 169.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 tp 0.44 -64.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 130.529 3.532 . . . . 0.0 115.349 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.38 39.36 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.707 1.203 . . . . 0.0 110.249 173.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 m -161.74 153.51 19.04 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.193 -0.942 . . . . 0.0 110.673 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.8 t -86.54 103.68 15.28 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.942 0.877 . . . . 0.0 110.906 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.85 150.31 48.78 Favored 'General case' 0 CA--C 1.495 -1.158 0 C-N-CA 126.422 1.889 . . . . 0.0 108.715 169.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.961 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.265 23.6 m -158.62 110.47 2.21 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -157.507 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' HA ' ' CB ' ' A' ' 3' ' ' ASN . 24.8 m-85 -83.55 141.09 31.84 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 123.188 0.305 . . . . 0.0 110.639 -168.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.44 61.3 5.16 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 124.241 0.924 . . . . 0.0 111.905 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.961 HD21 ' HB3' ' A' ' 44' ' ' CYS . 1.8 mt -63.4 116.12 5.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 163.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -92.12 -76.26 0.46 Allowed 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.05 149.89 2.58 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 153.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.95 85.33 2.36 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 129.257 3.023 . . . . 0.0 106.569 -163.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.61 ' CD ' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -83.34 56.73 3.67 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 126.534 1.934 . . . . 0.0 107.4 -175.274 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 38.25 55.95 1.74 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.83 1.652 . . . . 0.0 109.865 -166.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.91 144.98 8.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 CA-C-O 121.313 0.578 . . . . 0.0 109.727 -166.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.22 164.6 26.45 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 124.167 1.937 . . . . 0.0 114.243 -162.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -83.47 66.61 8.98 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 111.846 -2.433 . . . . 0.0 107.579 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.49 134.9 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.118 -176.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.558 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -91.08 146.84 23.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -172.559 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.79 -41.86 91.46 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 125.528 1.531 . . . . 0.0 110.84 -168.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.42 -54.11 36.4 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.078 166.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.3 p -68.01 -30.53 69.8 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.15 -1.02 . . . . 0.0 112.529 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -54.21 -58.0 9.05 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.011 1.325 . . . . 0.0 107.856 173.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -63.25 -48.4 78.35 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 119.087 -1.045 . . . . 0.0 110.987 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -49.55 -42.36 43.92 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 123.609 0.764 . . . . 0.0 111.123 176.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 59.7 m -125.34 52.59 1.6 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.916 1.286 . . . . 0.0 111.134 -167.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -139.59 -60.57 0.55 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.445 0.641 . . . . 0.0 110.818 164.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -45.78 -37.54 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.238 1.815 . . . . 0.0 111.456 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -22.48 -63.16 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 128.292 2.637 . . . . 0.0 112.918 168.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.9 mt -106.65 -35.53 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 C-N-CA 124.388 1.075 . . . . 0.0 108.55 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 C--N 1.34 0.191 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 168.727 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? . . . . . 0 N--CA 1.45 -0.442 0 CA-C-O 119.119 -0.467 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.3 -168.03 2.89 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -166.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.461 ' HA ' HD11 ' A' ' 47' ' ' LEU . 8.7 m-20 -125.2 152.74 44.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.513 1.052 . . . . 0.0 109.502 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.56 168.38 40.75 Favored Glycine 0 CA--C 1.52 0.345 0 O-C-N 121.206 -0.934 . . . . 0.0 110.801 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -86.13 108.29 18.24 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 171.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.03 137.28 40.13 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -172.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 m -143.1 159.48 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 166.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -160.0 0.38 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.511 0.672 . . . . 0.0 109.742 172.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -74.51 47.79 0.32 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.006 154.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -135.2 -58.6 0.79 Allowed 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.905 1.282 . . . . 0.0 108.589 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.69 64.56 3.36 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 122.349 0.971 . . . . 0.0 110.923 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.63 147.05 52.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 104.533 -2.395 . . . . 0.0 104.533 154.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -75.21 126.75 36.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 121.163 0.506 . . . . 0.0 111.088 -167.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 m -75.39 64.04 1.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.376 0.67 . . . . 0.0 109.309 170.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 177.82 1.11 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 168.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.5 p 155.15 169.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.272 1.829 . . . . 0.0 110.731 -162.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.96 -37.55 5.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.881 1.272 . . . . 0.0 110.012 158.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.07 80.17 2.91 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.116 -0.99 . . . . 0.0 110.943 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -27.06 -45.98 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.477 2.311 . . . . 0.0 114.635 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -41.84 -48.7 4.41 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.2 1.4 . . . . 0.0 112.88 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.42 -56.3 22.88 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.621 0.646 . . . . 0.0 109.985 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.13 -55.37 21.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.733 0.813 . . . . 0.0 109.203 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -51.68 -56.42 13.78 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 123.788 0.835 . . . . 0.0 111.908 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -49.86 -54.8 17.22 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.276 1.431 . . . . 0.0 111.787 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.47 -47.38 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.636 0.731 . . . . 0.0 109.764 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.85 -40.07 91.38 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.465 -169.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -71.9 -42.28 66.94 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 172.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -53.76 -50.44 66.02 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 123.576 0.75 . . . . 0.0 111.293 -175.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.6 t -98.64 -50.5 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 123.816 0.847 . . . . 0.0 110.722 -171.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -103.17 -7.49 21.2 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 124.259 1.024 . . . . 0.0 112.716 -168.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.323 60.9 m-85 65.95 33.14 8.03 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.64 179.08 0.26 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.717 0.77 . . . . 0.0 112.705 157.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.8 p -129.79 -83.76 0.55 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.771 2.428 . . . . 0.0 107.22 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 m -77.49 171.27 15.16 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 167.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.95 156.3 8.3 Favored Glycine 0 C--N 1.33 0.225 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 -167.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -179.9 176.64 0.73 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -158.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 m -76.09 97.23 4.02 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 174.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.67 160.29 23.76 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 169.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -9.05 -62.07 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 129.992 3.317 . . . . 0.0 114.977 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.46 5.76 3.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.971 1.308 . . . . 0.0 112.857 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -163.54 -175.69 4.31 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 121.239 -0.913 . . . . 0.0 111.425 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.7 t -109.65 108.76 19.28 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 124.351 1.061 . . . . 0.0 111.61 -162.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -92.62 153.57 18.92 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.984 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.5 m -149.63 150.36 32.05 Favored 'General case' 0 N--CA 1.418 -2.061 0 O-C-N 125.211 1.569 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -128.36 122.49 31.61 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 128.123 2.569 . . . . 0.0 105.056 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.82 -14.63 37.92 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 117.362 -1.799 . . . . 0.0 113.453 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -32.8 101.44 0.02 OUTLIER 'General case' 0 C--N 1.35 0.621 0 C-N-CA 125.949 1.699 . . . . 0.0 110.366 175.551 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.55 -49.81 73.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.983 1.313 . . . . 0.0 109.253 -168.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -101.72 159.75 15.05 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 112.727 -2.033 . . . . 0.0 108.229 160.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -122.11 33.12 5.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.814 1.646 . . . . 0.0 110.658 -166.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -10.57 -64.88 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.129 1 C-N-CA 131.726 4.01 . . . . 0.0 114.216 -156.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.51 54.05 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.152 -1.386 . . . . 0.0 107.449 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 m -55.06 144.66 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-O 121.967 0.889 . . . . 0.0 112.408 -169.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.73 167.37 20.03 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 123.025 1.393 . . . . 0.0 109.43 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.32 132.98 43.35 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 112.823 -1.989 . . . . 0.0 109.765 -175.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -98.88 138.05 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 124.646 1.179 . . . . 0.0 108.969 178.251 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -71.64 147.08 47.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 168.849 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -40.31 95.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 122.924 1.345 . . . . 0.0 111.032 -168.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.66 82.68 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.765 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -41.77 68.0 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 118.89 0.768 . . . . 0.0 109.486 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -50.03 -61.07 2.36 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 125.32 1.448 . . . . 0.0 108.429 172.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -53.21 -54.83 30.31 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.587 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -49.0 -43.53 40.32 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 124.332 1.053 . . . . 0.0 111.153 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 91.1 m -109.64 40.09 1.96 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 112.216 -172.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -133.79 -53.53 0.87 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.582 1.537 . . . . 0.0 110.979 167.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.6 t -48.79 -31.94 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.003 1.321 . . . . 0.0 111.782 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -17.39 -61.08 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 129.641 3.176 . . . . 0.0 114.559 170.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.9 mm -67.78 -27.1 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 122.615 0.366 . . . . 0.0 111.65 -170.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.3 mt . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.731 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.571 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 39.3 mtpt . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.5 -157.86 0.66 Allowed 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.18 150.97 2.2 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.641 1.176 . . . . 0.0 110.236 167.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 -137.43 2.27 Favored Glycine 0 C--N 1.328 0.091 0 N-CA-C 107.721 -2.152 . . . . 0.0 107.721 156.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -111.43 135.48 51.93 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 118.647 1.224 . . . . 0.0 112.154 160.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.559 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -72.88 130.63 40.85 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 124.312 1.008 . . . . 0.0 109.311 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.526 HG11 HD13 ' A' ' 54' ' ' LEU . 27.9 m -138.22 153.05 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 160.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -93.72 -152.97 0.35 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.057 0.456 . . . . 0.0 111.617 -169.679 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -68.83 48.12 0.06 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.91 149.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 8' ' ' ASP . 65.4 p -141.09 -49.48 0.42 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 127.087 2.155 . . . . 0.0 109.697 175.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.52 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 82.33 12.09 81.14 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.932 1.253 . . . . 0.0 111.52 -165.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -91.5 132.24 36.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.094 0.947 . . . . 0.0 109.658 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.69 160.56 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.074 0.95 . . . . 0.0 109.422 168.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -86.25 127.56 34.78 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 158.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -70.18 -71.16 0.25 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.163 0.985 . . . . 0.0 108.494 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.4 p 59.77 178.31 0.09 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 127.599 2.359 . . . . 0.0 116.042 160.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.85 -43.98 1.21 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.83 1.652 . . . . 0.0 111.653 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.89 116.43 11.18 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.108 -0.995 . . . . 0.0 112.986 -172.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -60.25 -53.82 53.1 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.894 0.877 . . . . 0.0 110.403 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -43.63 82.46 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.209 0.604 . . . . 0.0 110.683 -175.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -51.3 -55.46 18.2 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -50.76 72.52 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.458 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -44.1 -49.44 8.9 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.026 1.331 . . . . 0.0 111.415 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.94 -51.2 70.26 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 121.827 -0.546 . . . . 0.0 111.191 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.8 mm -56.52 -54.0 33.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.581 1.153 . . . . 0.0 110.179 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 13.7 m -42.06 -55.86 3.04 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 128.505 2.722 . . . . 0.0 110.369 176.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 t -75.11 -33.23 61.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.053 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -52.51 -53.07 50.99 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 124.012 0.925 . . . . 0.0 112.289 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -115.39 -44.34 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 123.654 0.781 . . . . 0.0 110.253 -165.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CD1' ' HB1' ' A' ' 6' ' ' ALA . 14.4 m-85 -89.0 -2.68 58.7 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.03 1.332 . . . . 0.0 111.388 -174.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.291 85.6 m-85 47.89 37.6 7.68 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.575 1.55 . . . . 0.0 112.226 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -61.54 173.34 0.97 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.839 0.828 . . . . 0.0 110.28 162.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -97.07 -91.22 0.25 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 166.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 m -85.73 -167.42 1.84 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.824 1.25 . . . . 0.0 110.346 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.22 170.31 15.38 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -173.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -176.51 168.98 2.67 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.83 1.252 . . . . 0.0 109.167 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -76.55 89.06 3.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.3 t -59.47 159.43 8.19 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 168.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -9.7 -57.19 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.28 3.032 . . . . 0.0 115.572 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.41 47.47 0.75 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.018 0.437 . . . . 0.0 110.73 168.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -162.06 170.21 19.62 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 120.923 -1.11 . . . . 0.0 110.381 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 t -103.0 95.73 6.33 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 122.023 0.916 . . . . 0.0 111.334 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.9 145.61 56.06 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-N 113.425 -1.716 . . . . 0.0 109.42 172.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.788 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.281 16.3 m -146.59 137.8 24.3 Favored 'General case' 0 N--CA 1.418 -2.065 0 O-C-N 126.049 2.093 . . . . 0.0 105.698 -174.709 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -103.71 134.01 47.75 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.249 0.931 . . . . 0.0 109.914 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.46 60.75 8.08 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 44' ' ' CYS . 3.7 mt -56.98 129.77 43.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 170.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -108.52 -62.45 1.46 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -169.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' CG ' ' HZ3' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -47.41 -61.85 1.72 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.526 -1.215 . . . . 0.0 107.762 157.529 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.571 ' HB3' ' CE ' ' A' ' 1' ' ' LYS . 52.2 t0 44.57 62.13 2.17 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 123.354 1.549 . . . . 0.0 109.227 175.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' HD2' ' H ' ' A' ' 51' ' ' LYS 0.282 0.0 OUTLIER -60.12 -31.74 70.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.741 -175.315 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.94 109.14 0.11 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.512 1.525 . . . . 0.0 108.431 154.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.488 ' CG1' HD12 ' A' ' 47' ' ' LEU . 9.9 m -53.43 149.75 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 119.889 1.222 . . . . 0.0 109.39 166.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.526 HD13 HG11 ' A' ' 7' ' ' VAL . 2.5 tp -67.09 166.46 13.82 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 123.929 1.823 . . . . 0.0 112.407 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.25 71.78 10.2 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 111.658 -2.519 . . . . 0.0 107.265 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.27 147.27 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.235 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.594 ' HD3' ' H ' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -88.57 137.21 32.52 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 176.335 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.96 -45.17 86.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.96 1.362 . . . . 0.0 111.827 -159.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.1 77.66 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.748 172.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.1 p -72.75 -36.08 67.62 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 118.582 -1.247 . . . . 0.0 111.85 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -49.7 -58.62 4.94 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 125.45 1.5 . . . . 0.0 108.686 169.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.3 m -55.24 -51.92 65.07 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.788 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -53.44 -42.64 67.34 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.058 0.543 . . . . 0.0 111.417 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.9 m -106.28 29.15 7.06 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 125.107 1.363 . . . . 0.0 113.016 -168.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -124.86 -52.25 1.68 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.132 1.333 . . . . 0.0 111.281 169.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.5 t -52.16 -31.89 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 124.557 1.143 . . . . 0.0 112.01 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -20.4 -71.03 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 130.406 3.482 . . . . 0.0 113.429 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.6 -16.57 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 124.215 1.006 . . . . 0.0 110.885 -175.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 174.948 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.506 ' H1 ' ' HD3' ' A' ' 1' ' ' LYS . 3.3 mppt? . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HE3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -86.81 -33.39 19.89 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.627 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 58.34 98.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.412 2.285 . . . . 0.0 110.251 175.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.01 -159.76 11.14 Favored Glycine 0 N--CA 1.462 0.388 0 C-N-CA 125.899 1.714 . . . . 0.0 109.295 -165.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.421 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 3.9 m-30 -113.33 131.31 56.01 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 162.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . . . -108.96 133.41 52.99 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 119.647 -0.821 . . . . 0.0 112.263 -167.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.474 ' CB ' ' HA2' ' A' ' 11' ' ' GLY . 34.4 m -149.55 150.12 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 126.698 1.999 . . . . 0.0 105.871 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.29 -66.73 0.33 Allowed 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 126.162 1.785 . . . . 0.0 112.107 -168.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -168.27 36.55 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 126.438 1.895 . . . . 0.0 107.381 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.7 p -162.61 -73.11 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -174.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.474 ' HA2' ' CB ' ' A' ' 7' ' ' VAL . . . 159.64 46.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 -177.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.91 73.87 2.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.712 1.256 . . . . 0.0 108.921 171.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.11 119.58 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 121.925 0.869 . . . . 0.0 110.379 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -79.52 68.3 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.046 0.938 . . . . 0.0 109.435 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 175.17 2.76 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.195 171.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.9 p 157.69 175.29 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 128.656 2.782 . . . . 0.0 111.03 -172.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' H ' HD23 ' A' ' 17' ' ' LEU . 1.8 pt? -94.18 -42.75 8.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.15 0.98 . . . . 0.0 111.167 160.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.4 71.16 5.95 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.181 -0.95 . . . . 0.0 112.033 -171.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -7.56 -56.57 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.093 2.957 . . . . 0.0 116.892 168.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -50.28 -38.57 41.81 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.147 1.379 . . . . 0.0 112.077 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -52.07 -52.89 48.3 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.766 0.426 . . . . 0.0 110.122 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -53.66 55.46 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -49.17 -56.65 8.56 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.419 1.088 . . . . 0.0 111.272 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -49.14 -58.73 4.48 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 124.706 1.202 . . . . 0.0 111.321 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.1 mm -57.55 -41.22 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 6' ' ' ALA 0.267 0.9 OUTLIER -65.83 -41.59 91.6 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 120.434 -0.506 . . . . 0.0 112.054 -166.561 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -71.46 -48.78 47.11 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 170.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.66 -50.29 60.67 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.626 1.17 . . . . 0.0 111.908 -170.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -97.17 -52.61 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.517 0 C-N-CA 125.288 1.435 . . . . 0.0 109.674 -172.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -104.57 0.25 28.45 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -165.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.281 99.1 m-85 54.03 46.47 25.43 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HB2' HD23 ' A' ' 47' ' ' LEU . . . -61.47 176.75 0.45 Allowed 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.818 139.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.9 p -109.3 -30.64 7.9 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.563 1.945 . . . . 0.0 110.82 161.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.76 -164.18 1.95 Allowed 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.46 -0.775 . . . . 0.0 110.095 174.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 175.71 20.21 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 -165.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -171.81 165.61 6.51 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.427 1.491 . . . . 0.0 108.109 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.5 m -75.64 85.35 2.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.65 167.91 14.19 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.342 1.057 . . . . 0.0 108.322 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -3.98 -55.92 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 131.008 3.723 . . . . 0.0 116.676 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.23 29.87 0.44 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 172.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' HB2' ' CE2' ' A' ' 5' ' ' TYR . 4.3 m -170.48 171.21 6.58 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.156 -0.965 . . . . 0.0 110.63 -173.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.3 t -95.84 100.82 12.48 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.02 152.72 44.88 Favored 'General case' 0 CA--C 1.482 -1.671 0 O-C-N 125.394 1.684 . . . . 0.0 108.975 167.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.821 ' HB3' HD21 ' A' ' 47' ' ' LEU . 94.8 m -152.21 116.08 4.87 Favored 'General case' 0 N--CA 1.404 -2.733 0 O-C-N 126.066 2.104 . . . . 0.0 107.865 -171.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -86.21 143.9 27.73 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.782 1.633 . . . . 0.0 108.741 171.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.21 2.81 79.82 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 117.965 -1.464 . . . . 0.0 114.212 171.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 44' ' ' CYS . 7.4 mt -40.82 123.53 1.93 Allowed 'General case' 0 C--N 1.344 0.346 0 CA-C-N 118.483 1.142 . . . . 0.0 112.051 -173.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -117.52 -64.55 1.29 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 124.468 1.107 . . . . 0.0 110.276 -170.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -63.45 -39.67 95.08 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.684 1.194 . . . . 0.0 109.811 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 t0 56.96 47.43 17.69 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 123.163 1.458 . . . . 0.0 110.929 163.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -37.29 -66.07 0.26 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.812 2.045 . . . . 0.0 112.634 -168.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.38 64.31 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 -172.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.404 HG21 ' HE3' ' A' ' 2' ' ' LYS . 27.2 m -64.08 154.72 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.496 -167.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.05 168.29 10.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 123.02 1.391 . . . . 0.0 110.303 169.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -115.22 118.27 32.84 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 127.584 2.354 . . . . 0.0 106.391 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.5 pt -113.97 140.24 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.779 0.323 . . . . 0.0 110.371 -159.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.05 145.47 46.37 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.213 0.605 . . . . 0.0 109.671 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -58.05 -51.88 67.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 122.227 1.013 . . . . 0.0 109.899 -173.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.29 -37.92 50.03 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.265 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.57 -43.16 70.03 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.889 0.768 . . . . 0.0 109.345 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -59.92 3.68 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -50.81 -52.45 41.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.656 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -53.98 -44.02 70.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.501 0.721 . . . . 0.0 110.899 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.6 m -108.01 26.89 9.83 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.391 1.076 . . . . 0.0 113.17 -168.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -100.32 -73.55 0.63 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.666 1.121 . . . . 0.0 110.62 175.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.9 t -56.19 -27.23 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.81 1.644 . . . . 0.0 112.554 -169.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -28.61 -67.29 0.07 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 128.981 2.912 . . . . 0.0 112.793 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.87 -39.88 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 124.085 0.954 . . . . 0.0 109.052 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 171.388 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.8 pttm . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 122.243 1.02 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -116.97 -162.72 0.87 Allowed 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 169.678 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.485 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 33.6 p-10 -126.92 142.67 51.49 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.177 1.391 . . . . 0.0 108.082 166.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.99 168.57 40.88 Favored Glycine 0 CA--C 1.521 0.461 0 O-C-N 121.288 -0.883 . . . . 0.0 112.872 -155.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.503 ' CD2' HG22 ' A' ' 56' ' ' ILE . 4.0 m-30 -83.11 102.84 12.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.609 1.163 . . . . 0.0 109.943 171.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.33 136.97 34.91 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.766 0.666 . . . . 0.0 109.45 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.498 ' CB ' ' HA2' ' A' ' 11' ' ' GLY . 21.1 m -135.63 151.29 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -1.08 -77.92 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 128.098 2.559 . . . . 0.0 113.595 159.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t 174.92 -42.04 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 131.31 3.844 . . . . 0.0 105.419 -168.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.4 t -89.56 -61.57 1.67 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.887 1.275 . . . . 0.0 109.118 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.498 ' HA2' ' CB ' ' A' ' 7' ' ' VAL . . . 162.62 27.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 117.135 1.614 . . . . 0.0 117.135 -174.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 83.86 2.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.293 1.547 . . . . 0.0 108.065 173.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.1 m -57.05 122.99 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -83.41 57.98 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.82 -0.55 . . . . 0.0 109.605 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -33.01 -82.2 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.801 2.441 . . . . 0.0 113.65 -166.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 71.84 166.99 0.31 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.151 1.78 . . . . 0.0 114.818 175.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.61 -55.12 2.51 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.46 1.504 . . . . 0.0 110.904 166.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.36 83.71 5.36 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.708 -1.245 . . . . 0.0 111.781 -171.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -12.52 -56.61 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 129.51 3.124 . . . . 0.0 116.319 171.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -39.39 -47.23 1.75 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.527 1.131 . . . . 0.0 112.102 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -53.56 -46.24 70.2 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.832 0.853 . . . . 0.0 111.669 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -49.21 74.17 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -41.32 58.52 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.331 0.514 . . . . 0.0 111.264 174.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.34 -57.46 12.9 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 121.667 -0.645 . . . . 0.0 111.452 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.58 -47.32 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 O-C-N 121.78 -0.575 . . . . 0.0 110.142 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.531 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 24.2 m -43.8 -58.69 2.59 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 127.469 2.308 . . . . 0.0 110.904 175.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -69.59 -42.42 74.48 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.42 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.01 -44.44 82.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.879 0.872 . . . . 0.0 111.828 -173.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.7 t -104.95 -43.81 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.157 0 C-N-CA 125.245 1.418 . . . . 0.0 111.019 -169.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -104.36 -9.35 18.55 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.117 0.967 . . . . 0.0 112.038 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.266 28.7 m-85 62.57 29.06 16.95 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.743 1.217 . . . . 0.0 112.621 -178.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -69.83 150.75 46.5 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.203 0.525 . . . . 0.0 110.768 168.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.9 p -84.15 -32.27 24.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.068 1.747 . . . . 0.0 110.659 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.3 t -148.06 -168.5 3.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.448 1.099 . . . . 0.0 108.895 177.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.68 169.14 13.61 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 -166.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -175.29 175.13 2.26 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -173.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 71.1 m -93.55 87.19 5.44 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 -171.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.4 t -69.04 164.55 22.16 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.647 1.579 . . . . 0.0 109.38 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tp -10.75 -59.11 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 129.466 3.106 . . . . 0.0 115.233 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -153.2 39.38 0.51 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.534 1.134 . . . . 0.0 109.291 174.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -161.89 175.12 12.21 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 120.62 -1.3 . . . . 0.0 110.942 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 t -112.33 110.29 20.43 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 111.969 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -87.6 149.23 24.45 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.44 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.3 m -135.97 161.29 36.06 Favored 'General case' 0 N--CA 1.423 -1.802 0 C-N-CA 126.353 1.861 . . . . 0.0 108.416 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 70.7 m-85 -128.05 132.01 49.09 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 126.268 1.827 . . . . 0.0 108.435 170.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.28 42.14 10.91 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.857 1.217 . . . . 0.0 111.835 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.68 HD12 ' H ' ' A' ' 47' ' ' LEU . 2.8 mp -67.41 78.98 0.16 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.087 1.444 . . . . 0.0 108.616 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.85 -48.87 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.49 1.116 . . . . 0.0 109.253 -176.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' OD2' ' NZ ' ' A' ' 51' ' ' LYS . 9.1 t0 -64.4 -62.12 1.8 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 113.689 -1.596 . . . . 0.0 111.07 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' OD1' HG13 ' A' ' 53' ' ' VAL . 38.0 t0 39.12 88.25 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.671 2.389 . . . . 0.0 112.792 -176.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' A' ' 49' ' ' ASP . 1.8 mptp? -58.04 -52.89 63.64 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 112.476 -2.147 . . . . 0.0 109.885 173.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -179.1 70.07 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.454 1.101 . . . . 0.0 109.741 -173.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.67 HG11 HD22 ' A' ' 47' ' ' LEU . 19.9 m -59.59 151.02 5.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 119.023 -1.071 . . . . 0.0 112.391 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.12 170.76 13.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.786 1.279 . . . . 0.0 111.975 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -109.66 121.87 46.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.687 2.395 . . . . 0.0 105.421 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.503 HG22 ' CD2' ' A' ' 5' ' ' TYR . 16.9 pt -122.21 145.66 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -158.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 146.29 26.29 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 122.984 0.513 . . . . 0.0 109.833 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -56.07 -56.77 16.84 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.03 -35.76 26.15 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.148 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -40.91 64.22 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.908 0.777 . . . . 0.0 109.896 177.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -57.73 11.07 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 119.078 0.854 . . . . 0.0 109.0 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -55.81 -45.27 78.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.267 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -59.07 -45.27 91.23 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 122.31 -0.244 . . . . 0.0 110.596 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.2 m -111.41 42.09 1.75 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.923 1.289 . . . . 0.0 112.821 -168.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -117.43 -69.33 0.86 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 119.257 0.935 . . . . 0.0 110.437 165.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.42 -19.94 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.415 1.486 . . . . 0.0 112.998 -170.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -29.79 -61.97 0.14 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 128.723 2.809 . . . . 0.0 114.073 -176.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.0 mm -68.26 -30.17 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 122.786 0.435 . . . . 0.0 111.43 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 175.399 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? . . . . . 0 N--CA 1.443 -0.822 0 CA-C-O 119.151 -0.452 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.417 ' HD2' HG11 ' A' ' 53' ' ' VAL . 13.2 ptpt -118.08 -160.22 0.78 Allowed 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 169.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 26.1 m-20 -125.32 149.15 48.35 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 104.829 -2.285 . . . . 0.0 104.829 159.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.36 171.16 44.15 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 119.441 1.019 . . . . 0.0 111.901 -169.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -82.91 123.56 29.52 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 122.948 0.499 . . . . 0.0 110.345 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.33 141.29 28.88 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.497 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 5.8 m -121.69 160.13 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 C-N-CA 123.572 0.749 . . . . 0.0 110.413 168.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -170.85 0.11 Allowed 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.246 1.418 . . . . 0.0 113.858 -167.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -76.8 48.93 0.6 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 113.236 -1.802 . . . . 0.0 108.97 159.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 m -170.89 -38.18 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 127.112 2.165 . . . . 0.0 110.011 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.497 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 108.08 2.39 33.88 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 124.509 1.052 . . . . 0.0 112.069 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -67.75 149.36 50.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.792 1.296 . . . . 0.0 107.923 165.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.86 -177.01 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 162.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.7 m -118.92 144.18 46.58 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 149.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -75.05 0.13 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.96 1.704 . . . . 0.0 107.074 175.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.28 12.6 p 66.77 154.31 0.09 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 128.987 2.915 . . . . 0.0 113.863 -176.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -109.64 -51.27 2.89 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.797 1.239 . . . . 0.0 108.48 174.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.12 106.47 17.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.322 0.649 . . . . 0.0 109.975 -177.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -35.18 -43.68 0.23 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.478 1.511 . . . . 0.0 113.365 170.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -48.88 -45.27 40.85 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.807 1.243 . . . . 0.0 111.75 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.44 -53.78 49.53 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 176.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -56.69 -49.99 73.47 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.523 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -61.68 -51.34 68.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.41 -177.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -50.9 -53.89 28.73 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.424 0.689 . . . . 0.0 111.796 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -58.28 -47.49 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-O 121.548 0.689 . . . . 0.0 109.659 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -39.34 78.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.3 -166.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 t -67.05 -42.69 84.34 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 170.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -54.87 -46.3 74.71 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 121.741 -0.599 . . . . 0.0 111.667 -176.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.3 t -105.57 -42.32 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 124.211 1.004 . . . . 0.0 111.71 -167.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -110.85 3.7 19.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.025 1.33 . . . . 0.0 111.662 -170.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.269 33.3 m-85 55.85 27.98 11.75 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 125.07 1.348 . . . . 0.0 113.976 176.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.58 148.69 23.33 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 122.881 0.472 . . . . 0.0 111.192 168.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.2 t -100.06 -11.29 20.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.745 1.618 . . . . 0.0 112.168 170.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -157.19 -167.29 2.28 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.553 1.07 . . . . 0.0 109.026 168.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.39 -175.82 27.49 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 108.134 -1.986 . . . . 0.0 108.134 -170.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 169.14 174.2 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 125.374 1.469 . . . . 0.0 108.835 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.3 m -78.2 87.3 4.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -74.34 161.92 29.39 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -7.12 -62.53 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 130.171 3.389 . . . . 0.0 114.976 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.0 mt -131.18 1.2 4.2 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.116 1.366 . . . . 0.0 112.813 -174.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -159.88 151.08 19.5 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 120.992 -1.068 . . . . 0.0 112.826 -170.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 119.75 8.68 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.278 1.031 . . . . 0.0 112.547 169.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -99.16 156.31 17.02 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 126.169 1.788 . . . . 0.0 109.313 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.3 m -140.1 159.83 41.31 Favored 'General case' 0 N--CA 1.416 -2.14 0 C-N-CA 124.877 1.271 . . . . 0.0 108.407 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -129.05 133.02 47.54 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.549 1.94 . . . . 0.0 106.339 171.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.82 37.11 13.88 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.06 1.314 . . . . 0.0 113.009 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 47' ' ' LEU . 2.7 mp -66.54 107.89 2.23 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 118.616 1.208 . . . . 0.0 108.831 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -1.56 -85.24 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 128.289 2.635 . . . . 0.0 112.025 171.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -127.9 -174.83 3.3 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.02 1.328 . . . . 0.0 109.296 156.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -82.19 63.57 6.45 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 124.171 1.938 . . . . 0.0 108.979 171.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -35.75 65.3 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 112.89 -1.959 . . . . 0.0 110.517 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 173.42 73.97 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.966 2.106 . . . . 0.0 108.418 163.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.417 HG11 ' HD2' ' A' ' 2' ' ' LYS . 7.1 m -73.09 166.18 2.75 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 C-N-CA 118.396 -1.322 . . . . 0.0 110.889 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.5 mp -95.4 166.67 11.76 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 124.056 1.884 . . . . 0.0 113.035 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -85.01 73.38 10.69 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 111.714 -2.494 . . . . 0.0 110.418 -166.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.448 HD13 HG21 ' A' ' 56' ' ' ILE . 2.2 pt -49.24 132.72 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.571 168.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 151.13 35.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 176.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.5 -52.58 64.82 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 122.498 1.142 . . . . 0.0 110.196 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.19 -39.18 55.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.131 174.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -39.27 73.36 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 118.763 0.71 . . . . 0.0 109.282 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.44 -60.32 3.46 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 174.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 t -53.82 -45.11 70.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.055 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -60.3 -43.98 95.8 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.023 0.529 . . . . 0.0 111.32 176.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.8 m -117.34 29.05 8.11 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.214 1.406 . . . . 0.0 113.691 -165.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -117.67 -67.69 0.97 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 120.758 1.617 . . . . 0.0 110.646 172.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.2 t -52.75 -30.61 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.551 1.141 . . . . 0.0 112.563 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -23.29 -62.01 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 129.253 3.021 . . . . 0.0 114.436 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mm -68.96 -25.17 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 122.683 0.393 . . . . 0.0 111.559 -170.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.8 mt . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.068 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 N--CA 1.445 -0.68 0 CA-C-O 117.988 -1.006 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -89.77 -28.6 19.24 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 120.856 1.662 . . . . 0.0 110.178 -172.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 59.45 111.51 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 127.643 2.377 . . . . 0.0 107.688 -161.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.485 ' H ' ' HG ' ' A' ' 47' ' ' LEU . . . -135.79 -166.01 10.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 126.638 2.066 . . . . 0.0 108.467 -163.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.541 ' CE2' HG23 ' A' ' 56' ' ' ILE . 47.1 m-85 -119.12 136.82 53.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.023 168.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.22 141.61 39.72 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 123.708 0.63 . . . . 0.0 112.001 -171.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.5 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 12.2 m -138.9 161.04 29.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 125.243 1.417 . . . . 0.0 108.666 171.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -71.01 179.47 2.74 Favored 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 124.284 1.033 . . . . 0.0 109.45 167.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.52 63.84 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.296 1.838 . . . . 0.0 108.282 157.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.48 -31.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.221 1.808 . . . . 0.0 111.115 -167.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.5 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 67.91 49.2 49.96 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 119.388 0.995 . . . . 0.0 112.361 167.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -126.98 103.68 7.6 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.441 1.096 . . . . 0.0 108.376 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.59 162.75 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.111 0.481 . . . . 0.0 110.33 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 m -90.56 134.06 34.64 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 153.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -111.8 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 164.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 89.49 149.1 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 127.952 2.501 . . . . 0.0 113.363 172.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -96.42 -34.83 11.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.642 1.177 . . . . 0.0 111.523 171.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.23 66.92 5.89 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.132 -0.98 . . . . 0.0 111.228 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -3.97 -67.98 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 129.58 3.152 . . . . 0.0 116.058 174.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -57.32 -25.79 59.89 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 125.294 1.438 . . . . 0.0 112.45 -169.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -49.26 -48.72 45.61 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.205 0.457 . . . . 0.0 111.048 171.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -46.77 77.05 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.484 -173.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -44.65 -58.82 2.81 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.146 0.978 . . . . 0.0 110.906 169.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -49.73 -55.62 13.25 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.108 0.963 . . . . 0.0 111.5 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.9 mm -56.16 -43.08 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.015 0.526 . . . . 0.0 110.033 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.318 0.5 OUTLIER -66.87 -36.33 82.06 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -170.003 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.71 -49.86 42.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.927 168.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.98 -50.62 70.33 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.307 1.043 . . . . 0.0 111.23 -170.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.9 t -94.08 -59.45 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 C-N-CA 125.489 1.516 . . . . 0.0 109.504 -172.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -88.59 -32.05 18.3 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 123.71 0.804 . . . . 0.0 112.466 -163.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.347 70.3 m-85 76.35 31.46 0.62 Allowed 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 126.817 2.047 . . . . 0.0 113.302 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.98 163.61 0.48 Allowed 'General case' 0 CA--C 1.54 0.59 0 O-C-N 122.134 -0.353 . . . . 0.0 111.295 144.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 p -86.09 -84.99 0.16 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.023 0.929 . . . . 0.0 108.729 170.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -89.99 -159.27 0.58 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.059 1.343 . . . . 0.0 109.619 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.41 -179.95 20.49 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 -172.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 p90 173.83 168.57 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 C-N-CA 125.385 1.474 . . . . 0.0 108.845 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.6 m -76.25 99.73 4.85 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 38.7 t -95.48 160.36 14.55 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.114 0.966 . . . . 0.0 109.599 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -15.98 -41.34 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.347 1 C-N-CA 132.119 4.168 . . . . 0.0 117.431 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.75 13.61 0.82 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 171.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 m -161.49 171.63 17.82 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 119.259 0.936 . . . . 0.0 110.911 -175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 t -95.03 104.69 16.57 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.32 1.048 . . . . 0.0 111.316 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -81.99 156.69 24.55 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 113.4 -1.727 . . . . 0.0 110.294 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.897 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.295 89.2 m -161.66 125.39 3.23 Favored 'General case' 0 N--CA 1.407 -2.62 0 O-C-N 126.277 2.236 . . . . 0.0 105.242 -159.844 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -94.42 161.49 14.21 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 176.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.89 26.58 67.34 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.268 -0.74 . . . . 0.0 112.621 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.897 HD21 ' HB3' ' A' ' 44' ' ' CYS . 1.1 mt -66.03 113.48 4.49 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.237 1.518 . . . . 0.0 107.007 166.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -121.53 -64.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -165.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -53.34 153.72 3.77 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.751 147.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -125.69 93.53 3.87 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 124.471 2.081 . . . . 0.0 107.527 -172.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.41 52.59 0.49 Allowed 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.209 -2.268 . . . . 0.0 109.534 177.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 41.12 56.64 2.99 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 125.535 1.534 . . . . 0.0 109.589 -169.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.34 143.74 14.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.66 0.743 . . . . 0.0 110.818 -157.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 5' ' ' TYR . 3.9 mp -72.33 173.47 8.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.526 1.631 . . . . 0.0 113.61 -167.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -82.44 69.98 9.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 112.821 -1.991 . . . . 0.0 109.967 -164.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -57.08 138.54 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 157.459 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -101.7 151.03 22.51 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 169.633 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.8 -61.16 2.43 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 125.35 1.46 . . . . 0.0 109.91 -171.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.62 -38.95 64.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.828 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -33.62 72.32 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 118.983 0.81 . . . . 0.0 109.432 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -70.65 -50.93 31.57 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 103.776 -2.676 . . . . 0.0 103.776 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.1 m -48.61 -57.59 6.0 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 117.879 0.309 . . . . 0.0 111.572 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.93 -42.38 48.29 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.887 1.275 . . . . 0.0 110.839 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.3 m -108.59 51.3 0.75 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.402 1.481 . . . . 0.0 110.971 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -139.93 -51.59 0.5 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.314 1.415 . . . . 0.0 110.977 162.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.39 -35.25 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.807 1.243 . . . . 0.0 111.597 176.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -26.03 -67.25 0.05 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 129.453 3.101 . . . . 0.0 113.46 173.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.2 mm -85.4 -37.38 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 CA--C 1.532 0.254 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 171.939 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.76 -147.86 0.24 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -162.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.424 ' HA ' HD11 ' A' ' 47' ' ' LEU . 13.3 m-20 -134.15 136.76 44.03 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 165.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.66 178.04 44.92 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -169.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.852 ' CD2' HG22 ' A' ' 56' ' ' ILE . 14.3 m-30 -82.35 104.8 12.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 124.117 0.539 . . . . 0.0 110.146 173.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.23 150.79 33.39 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 m -130.48 163.17 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 165.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.36 -163.8 0.99 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.797 1.284 . . . . 0.0 110.738 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -65.29 19.48 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 130.054 3.342 . . . . 0.0 113.084 169.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.6 t -151.21 -31.31 0.17 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.61 53.68 33.63 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 119.351 0.978 . . . . 0.0 112.635 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -103.88 157.14 17.29 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 147.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -109.32 136.23 45.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 123.443 0.697 . . . . 0.0 110.836 -171.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -86.18 93.23 8.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.08 -78.35 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.052 1.741 . . . . 0.0 110.001 169.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.261 19.5 p 59.23 176.47 0.08 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 127.869 2.468 . . . . 0.0 114.083 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -125.38 -53.14 1.6 Allowed 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.0 1.32 . . . . 0.0 109.423 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.62 80.14 7.13 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.42 -0.8 . . . . 0.0 110.316 -171.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -16.31 -55.42 0.01 OUTLIER 'General case' 0 C--O 1.233 0.185 0 C-N-CA 129.711 3.204 . . . . 0.0 115.682 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -37.07 -51.62 0.96 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.337 1.055 . . . . 0.0 111.658 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -46.0 -54.49 8.29 Favored 'General case' 0 C--O 1.23 0.068 0 C-N-CA 124.896 1.279 . . . . 0.0 111.676 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -45.71 80.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -174.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -40.89 62.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.569 0.348 . . . . 0.0 111.041 171.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.05 -53.69 51.99 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 123.927 0.891 . . . . 0.0 109.99 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -59.33 -45.92 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 121.27 0.557 . . . . 0.0 109.965 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 23.1 m -49.29 -53.94 19.41 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.033 1.733 . . . . 0.0 110.973 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 t -73.6 -41.74 62.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.611 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -56.62 -49.14 75.85 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.769 0.827 . . . . 0.0 111.954 -171.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.81 -54.75 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.365 0 C-N-CA 125.624 1.57 . . . . 0.0 109.349 -169.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -84.51 -19.11 33.78 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 57.95 52.5 7.78 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.168 1.387 . . . . 0.0 111.729 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -94.5 136.26 35.0 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.19 1.396 . . . . 0.0 108.479 151.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -69.55 -22.89 63.51 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.524 1.13 . . . . 0.0 112.185 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 m -149.61 -171.51 3.91 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.28 176.45 25.78 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 107.697 -2.161 . . . . 0.0 107.697 -169.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.89 172.96 1.6 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.174 0.589 . . . . 0.0 111.014 -177.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.4 m -79.66 83.2 5.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 126.425 1.89 . . . . 0.0 107.378 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -73.2 158.78 34.57 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.616 -0.678 . . . . 0.0 109.206 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.406 HD12 HG22 ' A' ' 60' ' ' THR . 77.0 mt -21.46 -44.36 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 130.237 3.415 . . . . 0.0 116.288 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.54 33.17 0.5 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.937 0.79 . . . . 0.0 112.438 168.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -166.81 -179.78 4.93 Favored 'General case' 0 C--N 1.339 0.13 0 O-C-N 121.282 -0.886 . . . . 0.0 110.64 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.1 t -107.69 104.28 13.76 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.536 1.134 . . . . 0.0 110.781 -171.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.99 146.86 39.23 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 113.718 -1.583 . . . . 0.0 108.589 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.42 ' HB3' ' CB ' ' A' ' 32' ' ' ALA . 53.7 m -140.49 142.92 35.25 Favored 'General case' 0 N--CA 1.422 -1.843 0 O-C-N 125.763 1.914 . . . . 0.0 106.963 176.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -115.82 119.61 36.57 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 127.321 2.248 . . . . 0.0 108.928 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.473 ' N ' HD12 ' A' ' 47' ' ' LEU . . . 103.67 -6.94 49.29 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 117.383 -1.787 . . . . 0.0 114.716 171.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.738 HD12 ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -11.35 87.04 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.345 3.058 . . . . 0.0 112.446 170.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -19.79 -84.41 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 129.294 3.038 . . . . 0.0 112.149 174.442 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.421 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 28.2 t70 -77.83 153.47 32.72 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 141.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.55 -38.21 71.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.899 2.48 . . . . 0.0 112.835 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 55.6 53.51 9.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 127.026 2.13 . . . . 0.0 110.457 -167.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 38.86 64.51 0.77 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 126.948 2.099 . . . . 0.0 111.456 172.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 m -56.64 144.04 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-O 122.073 0.939 . . . . 0.0 111.691 -169.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.96 168.0 8.84 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 123.71 1.719 . . . . 0.0 111.952 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -80.21 71.28 6.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 112.458 -2.156 . . . . 0.0 107.421 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.852 HG22 ' CD2' ' A' ' 5' ' ' TYR . 38.5 pt -66.52 135.41 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -172.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -77.94 149.89 34.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.34 -60.63 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.257 1.027 . . . . 0.0 110.446 -171.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.52 -43.3 55.88 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.054 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.406 HG22 HD12 ' A' ' 39' ' ' LEU . 32.1 p -68.99 -36.55 77.98 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 118.234 -0.888 . . . . 0.0 112.315 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -60.24 -51.0 71.42 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t -53.47 -53.45 51.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.367 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -54.43 -42.67 70.8 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.532 0.733 . . . . 0.0 111.328 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.7 m -110.75 35.34 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.197 1.399 . . . . 0.0 112.735 -169.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -136.29 -51.88 0.71 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.499 1.499 . . . . 0.0 110.973 173.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.9 t -55.59 -29.96 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.244 1.017 . . . . 0.0 111.683 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -27.69 -71.08 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 129.53 3.132 . . . . 0.0 113.074 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.6 mt -87.49 -39.62 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 123.721 0.808 . . . . 0.0 108.929 -175.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 170.381 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.3 mttp . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 121.643 0.735 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.31 -165.35 1.53 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -169.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.505 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 47.4 p-10 -121.76 145.0 48.47 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 119.745 1.157 . . . . 0.0 108.533 164.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.69 167.9 38.57 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -158.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -78.86 100.3 7.13 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.472 0.709 . . . . 0.0 109.389 171.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.9 134.25 45.92 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.461 -175.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.2 m -138.06 159.2 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 163.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.6 -160.38 0.79 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 124.656 1.223 . . . . 0.0 111.383 -177.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -69.72 43.08 0.05 Allowed 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.067 -1.424 . . . . 0.0 111.4 160.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -142.64 -57.58 0.44 Allowed 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.009 -1.057 . . . . 0.0 110.384 166.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.83 34.49 53.04 Favored Glycine 0 C--N 1.334 0.432 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 165.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 18.9 tttp -86.13 149.11 25.35 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 138.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.6 m -61.93 131.36 27.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-O 121.019 0.438 . . . . 0.0 110.958 168.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.2 m -78.15 68.03 4.09 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.711 1.205 . . . . 0.0 108.383 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 3.8 tt0 -46.97 -75.46 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.018 2.527 . . . . 0.0 112.889 -157.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 60.77 166.42 0.08 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.935 1.694 . . . . 0.0 115.062 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.08 -43.33 3.1 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.575 1.55 . . . . 0.0 110.945 166.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.22 80.34 4.64 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.813 -1.18 . . . . 0.0 111.229 -174.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -19.91 -47.93 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.328 3.051 . . . . 0.0 116.357 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -43.36 -46.84 6.67 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.078 0.951 . . . . 0.0 111.964 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -47.43 -55.06 9.73 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.116 0.966 . . . . 0.0 110.488 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -56.14 -52.69 63.44 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -176.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -54.75 -57.24 12.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.153 0.581 . . . . 0.0 109.648 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -48.93 -56.88 7.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.996 1.318 . . . . 0.0 112.348 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.55 -44.63 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.677 0.791 . . . . 0.0 109.618 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -41.54 75.14 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.693 -169.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 t -64.98 -40.62 95.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.607 170.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -58.77 -45.53 89.58 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.587 -0.695 . . . . 0.0 111.444 -175.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.9 t -103.59 -54.42 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 124.605 1.162 . . . . 0.0 110.764 -172.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -89.92 -20.01 23.86 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.449 1.1 . . . . 0.0 111.829 -167.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.318 96.5 m-85 67.76 30.6 6.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.691 1.996 . . . . 0.0 112.285 -174.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.21 133.22 35.99 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 168.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 t -73.23 -30.8 63.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.999 0.92 . . . . 0.0 111.107 -173.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 t -144.11 -163.45 1.68 Allowed 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.015 -0.428 . . . . 0.0 109.868 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.5 -172.18 29.54 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 107.751 -2.14 . . . . 0.0 107.751 -165.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 173.59 165.87 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.518 1.127 . . . . 0.0 108.838 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.6 m -88.67 83.03 6.75 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.2 t -59.2 160.86 5.92 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.692 1.597 . . . . 0.0 109.245 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -7.0 -58.46 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.698 3.199 . . . . 0.0 115.839 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.62 44.1 0.59 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.66 167.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -160.29 169.35 23.36 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 120.93 -1.106 . . . . 0.0 110.01 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.03 105.9 14.42 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.687 0.756 . . . . 0.0 109.989 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.67 154.86 24.67 Favored 'General case' 0 CA--C 1.498 -1.023 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.317 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 92.9 m -142.25 159.94 41.23 Favored 'General case' 0 N--CA 1.419 -1.988 0 C-N-CA 124.862 1.265 . . . . 0.0 108.454 172.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -127.34 106.8 9.46 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 126.307 1.843 . . . . 0.0 109.232 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.81 43.66 1.29 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.498 1.999 . . . . 0.0 111.78 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.607 HD12 ' H ' ' A' ' 47' ' ' LEU . 3.5 mp -73.38 72.25 1.31 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 118.941 1.37 . . . . 0.0 109.248 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.03 -50.83 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.083 0.944 . . . . 0.0 109.316 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -45.78 -64.32 0.76 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.326 2.65 . . . . 0.0 113.229 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' OD1' HG13 ' A' ' 53' ' ' VAL . 60.3 t0 20.21 78.38 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 127.944 2.497 . . . . 0.0 113.431 -175.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -57.32 -50.02 74.27 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 111.698 -2.501 . . . . 0.0 109.675 172.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -176.67 65.26 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.105 0.962 . . . . 0.0 110.593 -172.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 47' ' ' LEU . 12.4 m -52.3 145.74 2.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.567 0.698 . . . . 0.0 111.848 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.7 162.88 25.15 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 123.823 1.773 . . . . 0.0 110.779 175.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -96.78 83.73 3.48 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 111.538 -2.574 . . . . 0.0 105.397 -164.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.28 143.21 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.815 -174.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.578 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -81.09 136.09 35.89 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 170.72 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -71.72 -49.39 39.74 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.592 -158.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.57 14.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.756 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.2 p -73.25 -25.35 60.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 117.174 -1.393 . . . . 0.0 112.328 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -50.36 73.85 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 121.139 1.791 . . . . 0.0 107.902 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 t -53.72 -53.32 53.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.202 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -55.1 -46.15 75.52 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.748 0.308 . . . . 0.0 111.36 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 89.7 m -107.17 39.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.183 1.393 . . . . 0.0 112.661 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -128.84 -61.96 1.03 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.829 1.195 . . . . 0.0 111.911 171.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.1 t -56.49 -27.04 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.257 1.023 . . . . 0.0 111.864 -175.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -18.3 -63.69 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 130.249 3.42 . . . . 0.0 114.47 175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.75 -29.52 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 122.719 0.407 . . . . 0.0 111.463 -170.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' O ' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -171.59 143.28 1.72 Allowed 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -159.117 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -46.5 140.92 3.96 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 122.047 0.927 . . . . 0.0 112.628 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.84 168.09 40.21 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -165.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.599 ' CG ' HG22 ' A' ' 56' ' ' ILE . 1.2 m-30 -81.4 116.66 21.33 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -74.82 142.23 44.22 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 175.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 18.0 m -145.67 170.07 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 125.054 1.342 . . . . 0.0 107.899 173.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -35.5 -75.04 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.065 2.146 . . . . 0.0 112.379 168.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t 168.46 -48.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 131.152 3.781 . . . . 0.0 104.985 -164.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 t -73.34 -45.23 56.41 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.108 0.963 . . . . 0.0 109.642 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 135.77 38.65 0.17 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.202 1.382 . . . . 0.0 113.538 173.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -75.87 78.05 2.78 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.803 -0.822 . . . . 0.0 108.866 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 m -58.01 141.35 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 122.661 0.384 . . . . 0.0 110.95 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.6 m -100.57 136.54 40.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 166.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -126.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 162.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 102.36 159.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 130.008 3.323 . . . . 0.0 112.696 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.7 -42.69 5.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.944 1.298 . . . . 0.0 110.688 169.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.23 76.11 3.03 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.006 -1.059 . . . . 0.0 111.032 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -33.2 -39.28 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 127.872 2.469 . . . . 0.0 114.281 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -39.26 -49.89 1.94 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.755 1.622 . . . . 0.0 112.139 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.58 -53.62 44.15 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.733 0.813 . . . . 0.0 109.854 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.7 t -57.65 -53.77 54.47 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -49.89 -53.85 23.32 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.301 1.44 . . . . 0.0 110.814 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.77 -53.93 50.6 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.967 0.507 . . . . 0.0 112.073 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -58.56 -44.26 88.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.436 0.636 . . . . 0.0 110.052 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.0 m -53.47 -48.44 68.86 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 127.0 2.12 . . . . 0.0 110.272 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.3 p -68.45 -52.88 27.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.037 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -55.82 -53.22 59.34 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.126 1.37 . . . . 0.0 111.651 -164.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.1 t -89.69 -45.55 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.178 0 C-N-CA 124.455 1.102 . . . . 0.0 109.688 -170.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -103.52 -18.43 14.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -165.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.282 8.0 m-85 77.92 20.1 1.04 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.555 1.542 . . . . 0.0 114.21 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 165.76 0.65 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 162.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -99.06 -25.5 14.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.931 1.292 . . . . 0.0 110.874 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 p -157.35 -170.17 3.15 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.322 -0.861 . . . . 0.0 109.562 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.75 167.95 19.45 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 107.228 -2.349 . . . . 0.0 107.228 -171.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -173.54 162.27 4.17 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.091 0.956 . . . . 0.0 109.041 -172.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -88.81 91.83 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.6 m -73.47 179.41 4.05 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -12.02 -60.2 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 130.521 3.529 . . . . 0.0 114.25 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.69 41.41 0.53 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.151 0.58 . . . . 0.0 109.859 168.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -169.64 138.41 1.88 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.56 -0.712 . . . . 0.0 110.563 -162.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 115.86 28.28 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.333 1.053 . . . . 0.0 111.455 -169.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.89 153.97 27.31 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.932 0.893 . . . . 0.0 109.088 172.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 47' ' ' LEU . 57.8 m -134.1 158.05 44.59 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 163.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -118.55 104.44 10.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.124 1.77 . . . . 0.0 108.989 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.59 9.23 72.42 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.764 -0.464 . . . . 0.0 113.457 174.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -42.21 161.4 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.817 0.818 . . . . 0.0 112.241 154.594 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -56.29 161.9 2.31 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 123.66 1.695 . . . . 0.0 109.519 156.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -98.15 -39.0 9.1 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 129.648 3.179 . . . . 0.0 108.895 178.262 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -49.1 -30.81 6.99 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.81 2.044 . . . . 0.0 112.745 -176.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -85.68 57.04 4.24 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 30.52 59.7 0.22 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 128.455 2.702 . . . . 0.0 113.22 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.8 m -62.2 131.96 27.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.222 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.19 166.41 23.5 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.373 1.558 . . . . 0.0 111.708 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -92.28 103.75 16.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 112.032 -2.349 . . . . 0.0 106.627 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.599 HG22 ' CG ' ' A' ' 5' ' ' TYR . 23.4 pt -79.6 150.26 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -174.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' H ' ' HE3' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -81.63 156.77 24.96 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 108.066 -1.086 . . . . 0.0 108.066 -173.027 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -57.23 -63.38 1.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.808 0.843 . . . . 0.0 110.26 -177.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.16 -40.74 24.8 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.768 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.8 p -72.69 -35.85 67.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 118.162 -0.923 . . . . 0.0 112.469 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -56.47 -53.86 52.48 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 120.575 1.534 . . . . 0.0 109.767 167.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -58.35 -40.85 83.32 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.571 -0.705 . . . . 0.0 112.327 -176.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.27 -51.47 68.04 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.584 0.707 . . . . 0.0 110.113 167.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.72 34.23 5.25 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.346 1.059 . . . . 0.0 113.392 -154.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -123.72 -59.96 1.49 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.73 1.212 . . . . 0.0 109.54 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -49.35 -33.56 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 126.032 1.733 . . . . 0.0 112.094 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -18.25 -69.31 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 129.556 3.142 . . . . 0.0 112.798 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.1 mt -101.78 -38.8 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 125.536 1.535 . . . . 0.0 108.54 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 171.734 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.6 tttm . . . . . 0 CA--C 1.516 -0.352 0 CA-C-O 122.819 1.295 . . . . 0.0 108.646 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.482 ' HD2' HG21 ' A' ' 53' ' ' VAL . 8.5 ptpp? -139.45 -158.58 0.87 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 112.419 -2.173 . . . . 0.0 110.025 -146.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.571 ' HA ' HD13 ' A' ' 47' ' ' LEU . 24.7 p-10 -114.75 150.12 35.85 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 126.659 1.984 . . . . 0.0 106.422 147.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 166.47 36.89 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -163.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.483 ' CD2' HG22 ' A' ' 56' ' ' ILE . 3.3 m-30 -74.92 108.27 7.54 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 165.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.57 144.37 27.94 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.81 160.21 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -90.84 -149.5 0.22 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 168.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -74.45 -4.01 34.11 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.335 1.054 . . . . 0.0 111.545 168.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 p -80.02 -58.78 2.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.384 1.474 . . . . 0.0 109.87 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.05 36.92 69.14 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 125.609 1.576 . . . . 0.0 112.792 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -108.46 107.53 18.11 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 159.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.75 136.64 25.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.07 0.462 . . . . 0.0 110.93 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.6 m -72.99 84.43 1.26 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 171.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -42.78 -71.7 0.08 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.551 1.54 . . . . 0.0 110.882 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.32 145.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.184 2.193 . . . . 0.0 116.351 168.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 pp -97.02 -42.38 7.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.552 1.141 . . . . 0.0 111.742 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.09 70.56 9.04 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 120.862 -1.149 . . . . 0.0 111.19 -171.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -10.96 -61.6 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.78 2.832 . . . . 0.0 116.456 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -43.12 -41.02 3.47 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.658 1.583 . . . . 0.0 112.715 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -39.23 -53.92 1.85 Allowed 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.096 0.958 . . . . 0.0 111.196 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 m -66.81 -52.56 42.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -169.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -43.32 -57.15 3.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.221 1.008 . . . . 0.0 111.678 170.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -54.98 -56.21 22.21 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 124.891 1.276 . . . . 0.0 111.365 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 mm -53.29 -45.46 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.791 0.837 . . . . 0.0 109.282 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -42.03 86.62 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -170.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 t -71.55 -30.34 65.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.937 -0.554 . . . . 0.0 111.026 171.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.43 -49.12 65.09 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.044 0.838 . . . . 0.0 110.671 -175.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.67 -55.24 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 C-N-CA 125.312 1.445 . . . . 0.0 110.404 -168.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -95.0 -19.96 19.75 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.109 0.963 . . . . 0.0 112.44 -169.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.263 39.2 m-85 74.28 33.88 0.86 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.048 1.739 . . . . 0.0 112.797 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.36 132.97 43.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 164.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -69.45 -25.58 64.17 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.349 1.06 . . . . 0.0 111.243 -177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -148.58 -162.17 1.5 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.515 -0.741 . . . . 0.0 110.692 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.58 -178.85 21.44 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 125.942 1.734 . . . . 0.0 109.143 -167.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 172.97 172.31 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 124.833 1.253 . . . . 0.0 108.294 178.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.7 m -81.34 89.7 6.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.05 167.34 12.06 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.592 1.157 . . . . 0.0 108.094 174.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -14.64 -58.32 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 128.7 2.8 . . . . 0.0 115.465 -172.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -150.78 38.54 0.68 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.724 0.81 . . . . 0.0 110.036 174.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.48 172.05 16.11 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.653 -1.279 . . . . 0.0 111.366 -176.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.59 105.35 15.18 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.936 0.874 . . . . 0.0 112.914 -170.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -90.74 154.49 19.5 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.265 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.412 ' C ' HD11 ' A' ' 47' ' ' LEU . 81.6 m -141.36 161.66 37.36 Favored 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 125.911 1.684 . . . . 0.0 108.406 175.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -132.74 122.61 24.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.893 2.077 . . . . 0.0 107.095 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.39 36.92 4.72 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.666 1.603 . . . . 0.0 111.877 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 47' ' ' LEU . 2.1 mp -70.04 67.55 0.29 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.614 1.566 . . . . 0.0 108.127 175.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.08 -53.44 45.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.367 0.603 . . . . 0.0 109.374 -165.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.84 145.61 50.18 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.239 152.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.04 97.16 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.158 1.783 . . . . 0.0 108.812 -167.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 51' ' ' LYS . 1.7 mppt? -61.03 -68.02 0.35 Allowed 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 126.792 2.037 . . . . 0.0 109.769 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 176.56 65.25 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.919 1.688 . . . . 0.0 106.649 -170.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.482 HG21 ' HD2' ' A' ' 2' ' ' LYS . 25.3 m -63.1 144.69 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.904 -173.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.5 165.42 25.14 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.224 1.488 . . . . 0.0 111.426 -173.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -91.06 86.15 6.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.287 -2.233 . . . . 0.0 108.275 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.483 HG22 ' CD2' ' A' ' 5' ' ' TYR . 28.7 pt -74.27 154.14 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.522 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 1.8 mppt? -75.82 154.25 36.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -35.63 81.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 122.64 1.21 . . . . 0.0 109.949 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.48 41.2 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.401 -1.272 . . . . 0.0 111.503 168.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -45.53 94.27 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.382 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -47.05 -59.17 3.31 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 119.5 1.045 . . . . 0.0 109.877 174.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -56.4 -52.01 66.2 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.985 0.421 . . . . 0.0 110.954 -177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -54.12 -40.95 67.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.204 1.002 . . . . 0.0 111.639 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.4 m -117.2 27.89 8.83 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 124.792 1.237 . . . . 0.0 112.14 -164.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -104.01 -67.28 0.9 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 119.918 1.236 . . . . 0.0 110.413 168.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.7 -22.62 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.403 1.081 . . . . 0.0 113.018 -169.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -30.31 -62.82 0.15 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 128.6 2.76 . . . . 0.0 114.185 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.5 mm -64.14 -31.89 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 122.965 0.506 . . . . 0.0 110.996 -174.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mm . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.594 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.79 160.71 28.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.826 1.651 . . . . 0.0 106.634 -165.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.562 ' HA ' HD13 ' A' ' 47' ' ' LEU . 29.7 p-10 -52.63 127.26 22.38 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 122.017 0.913 . . . . 0.0 112.274 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.5 175.23 45.43 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.607 -148.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -79.25 93.55 5.28 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.578 1.151 . . . . 0.0 109.726 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.66 142.74 38.66 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.397 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.417 ' CG1' ' HA2' ' A' ' 11' ' ' GLY . 21.4 m -137.3 136.61 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.403 ' OD1' ' NZ ' ' A' ' 12' ' ' LYS . 15.2 t70 18.44 -79.94 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.316 2.646 . . . . 0.0 114.056 141.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t 173.81 -41.16 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 131.293 3.837 . . . . 0.0 105.895 -167.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.1 p -109.87 -55.93 2.38 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.659 1.184 . . . . 0.0 110.605 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.417 ' HA2' ' CG1' ' A' ' 7' ' ' VAL . . . 134.68 62.65 0.07 OUTLIER Glycine 0 C--N 1.338 0.682 0 C-N-CA 125.216 1.389 . . . . 0.0 112.785 -174.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' NZ ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -75.06 66.32 1.59 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 160.118 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 m -65.72 141.68 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 122.709 0.404 . . . . 0.0 111.409 -172.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.5 m -98.23 133.3 42.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 168.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -120.11 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 162.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 106.17 147.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 130.604 3.562 . . . . 0.0 112.696 173.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -88.94 -40.64 12.91 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.098 0.959 . . . . 0.0 111.619 172.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 66.94 6.21 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.096 -1.003 . . . . 0.0 110.934 -175.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -17.08 -58.21 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 128.827 2.851 . . . . 0.0 115.746 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -33.87 -48.85 0.31 Allowed 'General case' 0 C--O 1.232 0.163 0 C-N-CA 126.994 2.118 . . . . 0.0 112.671 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -40.14 -51.93 2.6 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.771 1.228 . . . . 0.0 111.504 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.83 -44.53 73.28 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -169.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -49.97 65.63 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 171.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.41 -56.75 17.32 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 124.178 0.991 . . . . 0.0 110.461 -174.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 mm -55.59 -46.17 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 123.85 0.86 . . . . 0.0 109.303 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -38.44 91.0 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -171.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.2 t -73.39 -32.09 64.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 119.731 -0.787 . . . . 0.0 111.501 171.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -71.44 -41.42 69.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.248 0.931 . . . . 0.0 111.554 -172.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -108.13 -58.21 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 C-N-CA 126.216 1.807 . . . . 0.0 109.349 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -82.89 -28.47 29.97 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.828 0.851 . . . . 0.0 111.493 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.304 57.6 m-85 69.07 46.34 0.83 Allowed 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 127.182 2.193 . . . . 0.0 112.6 -173.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.9 136.96 34.59 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 162.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -79.15 -5.82 55.09 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -162.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -164.05 -173.59 3.24 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 127.056 2.142 . . . . 0.0 105.689 175.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.36 -178.44 31.17 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 107.259 -2.336 . . . . 0.0 107.259 -171.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 175.48 164.91 0.32 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.497 1.119 . . . . 0.0 108.955 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.0 m -77.06 87.91 3.56 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.0 t -69.69 159.76 32.88 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -6.41 -56.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 130.197 3.399 . . . . 0.0 115.507 175.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.45 38.57 0.55 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 173.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 t -169.77 -174.53 1.87 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 121.467 -0.771 . . . . 0.0 110.778 174.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -107.97 97.98 7.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 123.079 1.418 . . . . 0.0 111.541 -170.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.37 148.2 43.63 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 112.942 -1.935 . . . . 0.0 108.903 175.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.8 m -142.99 164.1 30.98 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 127.243 2.217 . . . . 0.0 106.17 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -127.09 124.31 38.91 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 124.999 1.32 . . . . 0.0 112.579 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.65 43.87 11.37 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.562 HD13 ' HA ' ' A' ' 3' ' ' ASN . 2.9 mp -61.11 138.02 58.22 Favored 'General case' 0 N--CA 1.428 -1.556 0 C-N-CA 127.769 2.427 . . . . 0.0 109.998 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -61.57 172.47 1.2 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.936 160.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -72.31 -53.87 11.14 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.81 -1.541 . . . . 0.0 108.439 -178.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -36.0 -34.82 0.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.389 2.676 . . . . 0.0 114.01 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 51' ' ' LYS . 4.3 mmtt -78.38 -2.41 38.16 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.069 -1.02 . . . . 0.0 111.309 -171.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 53.22 60.68 3.59 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 125.981 1.713 . . . . 0.0 111.558 164.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.22 125.45 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.426 -168.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.77 168.03 8.45 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 123.205 1.479 . . . . 0.0 112.117 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -87.02 129.54 34.85 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 112.424 -2.171 . . . . 0.0 107.976 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 pt -131.32 141.92 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 123.064 0.546 . . . . 0.0 112.035 -166.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 143.65 49.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.265 1.026 . . . . 0.0 108.924 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.38 -53.0 62.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.096 0.951 . . . . 0.0 110.383 -173.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.63 -36.43 15.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.971 173.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -40.05 85.66 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 117.435 -1.269 . . . . 0.0 109.075 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 pttm -56.68 -53.73 54.37 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 120.592 1.542 . . . . 0.0 109.512 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -53.49 -57.93 8.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.042 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -52.22 -37.94 56.54 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.923 0.889 . . . . 0.0 111.91 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.3 m -113.87 35.33 4.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.351 1.46 . . . . 0.0 112.161 -172.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.47 -55.87 0.96 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.396 0.998 . . . . 0.0 110.555 170.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.0 t -52.19 -31.81 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.04 1.336 . . . . 0.0 111.209 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -19.53 -66.42 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 128.355 2.662 . . . . 0.0 112.66 165.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -107.22 -33.65 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 C-N-CA 125.038 1.335 . . . . 0.0 108.753 -177.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.95 -158.61 0.88 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -164.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.506 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 46.6 p-10 -126.34 145.24 50.52 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 124.777 1.231 . . . . 0.0 108.588 163.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.94 172.55 42.51 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -156.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -84.24 108.01 16.87 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.522 0.729 . . . . 0.0 110.192 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.31 137.87 33.21 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.523 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 27.6 m -142.3 152.14 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.612 0.765 . . . . 0.0 109.416 177.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -10.51 -75.86 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.795 2.838 . . . . 0.0 113.716 162.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t 172.58 -47.51 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 130.449 3.5 . . . . 0.0 105.109 -164.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p -86.07 -53.16 5.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.138 0.575 . . . . 0.0 109.978 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 148.88 34.62 0.05 OUTLIER Glycine 0 CA--C 1.533 1.169 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -76.19 87.73 3.05 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.223 1.512 . . . . 0.0 108.558 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.16 125.98 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.514 0.674 . . . . 0.0 110.728 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.6 m -82.24 62.35 5.91 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.788 0.835 . . . . 0.0 110.917 -174.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 179.72 0.96 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.143 0.429 . . . . 0.0 111.799 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 p 163.63 173.11 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 128.017 2.527 . . . . 0.0 111.129 -173.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -48.38 7.11 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.567 0.747 . . . . 0.0 111.185 162.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.95 73.55 3.54 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.995 -1.065 . . . . 0.0 111.601 -173.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -16.98 -52.72 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.895 2.878 . . . . 0.0 116.578 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -43.52 -39.67 3.52 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.945 1.298 . . . . 0.0 112.781 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.86 -52.9 17.41 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.418 0.687 . . . . 0.0 111.124 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -53.09 62.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -177.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -46.71 -57.23 5.04 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 124.71 1.204 . . . . 0.0 111.038 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -52.32 -56.41 15.03 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.326 1.45 . . . . 0.0 112.024 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.0 mm -55.49 -40.98 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -71.66 -42.78 67.09 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -168.145 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 t -59.97 -45.53 92.39 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 166.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -57.42 -41.85 81.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 117.972 0.351 . . . . 0.0 111.93 -172.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -104.22 -48.82 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 C-N-CA 124.461 1.105 . . . . 0.0 111.394 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -108.01 2.1 22.95 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.663 1.185 . . . . 0.0 112.263 -169.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 73.34 7.22 5.2 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.664 1.186 . . . . 0.0 112.91 176.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.05 127.91 34.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 119.035 0.834 . . . . 0.0 111.457 -174.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -77.23 -22.63 51.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.18 0.992 . . . . 0.0 112.032 -173.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -139.72 -177.31 4.9 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.57 171.88 14.76 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 107.965 -2.054 . . . . 0.0 107.965 -171.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -177.34 164.4 2.13 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.9 m -77.19 93.81 4.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.2 t -70.3 165.54 22.09 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.267 1.427 . . . . 0.0 109.265 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -11.04 -55.9 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 129.689 3.195 . . . . 0.0 115.481 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -152.76 38.55 0.53 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.667 0.787 . . . . 0.0 109.878 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.26 -169.49 1.82 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.906 -1.121 . . . . 0.0 111.593 -175.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.9 t -127.05 105.2 8.43 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.634 0.774 . . . . 0.0 112.812 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -82.66 153.59 25.32 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.612 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.5 m -147.05 154.13 40.82 Favored 'General case' 0 N--CA 1.42 -1.958 0 C-N-CA 125.849 1.66 . . . . 0.0 107.696 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -129.18 123.39 31.94 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.223 1.809 . . . . 0.0 109.157 176.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.42 41.82 8.22 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.199 1.38 . . . . 0.0 111.013 -177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.728 HD12 ' H ' ' A' ' 47' ' ' LEU . 3.5 mp -60.64 -179.38 0.12 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 118.199 0.999 . . . . 0.0 109.834 175.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -69.77 176.44 3.62 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 166.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -31.37 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 128.016 2.527 . . . . 0.0 110.895 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -165.26 116.42 1.12 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 145.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -57.63 -60.96 2.88 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 124.084 0.953 . . . . 0.0 108.973 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 167.05 56.88 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 128.364 2.665 . . . . 0.0 107.161 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.0 m -62.59 146.32 12.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 121.256 0.551 . . . . 0.0 110.472 -170.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -69.69 166.45 19.13 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 123.086 1.422 . . . . 0.0 109.525 169.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -131.16 133.57 45.7 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 112.419 -2.173 . . . . 0.0 107.257 -156.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 pt -129.63 141.48 46.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -147.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -59.73 158.85 9.57 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.787 1.635 . . . . 0.0 109.018 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.69 -42.73 67.06 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.877 1.671 . . . . 0.0 111.464 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.4 78.72 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.031 -0.418 . . . . 0.0 110.794 171.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -41.7 80.69 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -47.21 -60.44 2.48 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 125.495 1.518 . . . . 0.0 109.131 172.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.7 t -57.13 -52.89 63.47 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.181 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -53.76 -36.56 62.48 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.974 0.91 . . . . 0.0 112.256 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.7 m -121.91 37.83 4.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.531 1.133 . . . . 0.0 111.782 -170.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -128.59 -59.1 1.16 Allowed 'General case' 0 C--O 1.23 0.077 0 CA-C-N 119.237 0.926 . . . . 0.0 111.577 165.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.24 -30.76 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.256 1.022 . . . . 0.0 111.978 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -21.59 -68.54 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 129.926 3.291 . . . . 0.0 113.923 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.5 mm -85.59 -20.27 8.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.036 -171.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.682 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 121.343 0.592 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -146.47 134.67 21.68 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 123.655 0.782 . . . . 0.0 109.305 -161.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.524 ' HA ' HD13 ' A' ' 47' ' ' LEU . 12.1 p-10 -59.08 137.87 57.77 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 119.472 1.033 . . . . 0.0 109.704 166.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.1 169.46 40.78 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 -161.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -96.53 101.71 13.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.3 0.64 . . . . 0.0 109.328 -171.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.12 137.62 37.56 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 119.51 -0.281 . . . . 0.0 110.417 -169.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.486 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 29.7 m -104.53 147.21 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.004 0.522 . . . . 0.0 110.809 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 4.4 -78.82 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 128.152 2.581 . . . . 0.0 114.184 153.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t 175.81 -47.2 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 130.433 3.493 . . . . 0.0 104.742 -165.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -96.29 -54.6 3.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.65 1.18 . . . . 0.0 109.649 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.486 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 153.64 70.31 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 112.244 -0.342 . . . . 0.0 112.244 -165.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -140.71 148.03 40.12 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 103.897 -2.631 . . . . 0.0 103.897 168.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -131.53 151.41 35.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 CA-C-N 119.109 0.868 . . . . 0.0 109.273 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -79.68 119.89 23.24 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.12 -67.94 0.39 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 172.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p 57.94 175.07 0.06 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.838 2.455 . . . . 0.0 116.46 162.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.76 -47.54 1.53 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.823 1.649 . . . . 0.0 110.821 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.37 117.89 9.97 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.527 -0.733 . . . . 0.0 112.066 -172.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -64.56 -51.41 62.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.523 0.729 . . . . 0.0 111.066 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -52.08 -47.79 65.01 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.819 0.847 . . . . 0.0 110.692 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -48.32 -60.77 2.41 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.211 0.604 . . . . 0.0 110.188 175.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -47.37 86.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -173.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -49.51 -57.55 6.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.594 0.757 . . . . 0.0 112.074 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -52.81 -52.76 55.66 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.267 1.427 . . . . 0.0 111.45 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.2 mm -56.57 -43.97 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.262 0.5 OUTLIER -65.89 -41.91 90.92 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -172.791 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -66.78 -38.93 87.52 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.052 171.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -57.56 7.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 120.811 -1.181 . . . . 0.0 110.585 -174.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -88.36 -58.58 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 C-N-CA 125.28 1.432 . . . . 0.0 109.039 -167.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -87.4 -20.11 27.15 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.221 1.008 . . . . 0.0 112.368 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.287 92.8 m-85 64.04 49.43 2.74 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 126.143 1.777 . . . . 0.0 111.812 -176.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.62 152.75 22.32 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.617 1.167 . . . . 0.0 109.108 164.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 78.8 p -74.24 -30.4 62.13 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.347 -0.845 . . . . 0.0 110.914 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.0 -165.29 1.8 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.881 -0.58 . . . . 0.0 111.08 175.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.6 171.24 22.57 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 126.721 2.105 . . . . 0.0 108.427 -170.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -174.75 178.98 1.77 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 126.282 1.833 . . . . 0.0 107.127 173.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.8 m -76.93 91.22 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.041 0.937 . . . . 0.0 109.025 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -61.01 165.73 3.98 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.691 0.797 . . . . 0.0 110.004 168.595 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -22.61 -51.24 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.183 2.593 . . . . 0.0 114.56 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.45 44.83 0.71 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 168.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -162.84 172.45 15.15 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.084 -1.01 . . . . 0.0 110.525 -176.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.7 t -98.55 102.61 14.4 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 122.389 1.09 . . . . 0.0 110.249 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -71.87 154.87 40.97 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.205 171.759 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.53 ' C ' HD11 ' A' ' 47' ' ' LEU . 74.5 m -137.3 165.85 25.2 Favored 'General case' 0 N--CA 1.41 -2.426 0 O-C-N 125.105 1.503 . . . . 0.0 107.662 168.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -131.57 137.14 48.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.66 1.984 . . . . 0.0 107.426 174.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.88 43.08 75.84 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.787 0.708 . . . . 0.0 113.887 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.53 HD11 ' C ' ' A' ' 44' ' ' CYS . 0.4 OUTLIER -68.38 73.19 0.22 Allowed 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 128.495 2.718 . . . . 0.0 108.665 176.609 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -47.8 -67.2 0.3 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.489 0.661 . . . . 0.0 110.695 -172.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -71.95 149.37 45.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.578 158.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -138.73 105.8 5.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.897 2.079 . . . . 0.0 107.323 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -52.31 57.92 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 127.241 2.216 . . . . 0.0 108.553 -177.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 167.89 70.07 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 127.962 2.505 . . . . 0.0 107.91 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.61 155.03 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.174 176.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.35 170.63 1.69 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 123.068 1.413 . . . . 0.0 111.119 169.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -117.26 118.37 32.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 127.109 2.164 . . . . 0.0 105.754 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.7 pt -121.46 143.75 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 122.552 0.341 . . . . 0.0 111.248 -155.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.75 146.41 49.45 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.301 0.64 . . . . 0.0 110.304 -178.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.71 -51.74 68.29 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 122.231 1.015 . . . . 0.0 109.822 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.36 -36.54 43.56 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.853 -1.067 . . . . 0.0 112.528 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -41.95 64.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.792 0.724 . . . . 0.0 109.705 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -59.57 4.15 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.2 t -51.85 -52.96 45.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.699 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -50.64 -47.37 58.54 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.813 0.845 . . . . 0.0 110.913 175.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.0 m -84.57 -32.91 23.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 -166.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.71 -54.86 10.19 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.946 0.879 . . . . 0.0 110.058 -166.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.8 t -48.85 -37.17 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 126.102 1.761 . . . . 0.0 112.327 -177.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -36.62 -55.48 0.86 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 127.659 2.384 . . . . 0.0 112.462 -177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.7 mt -102.92 -41.72 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.339 0.117 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 175.727 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.317 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.56 ' HA ' HD11 ' A' ' 47' ' ' LEU . 18.3 p-10 -134.3 143.73 47.9 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.781 1.633 . . . . 0.0 108.206 168.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 169.25 41.28 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 111.519 -0.633 . . . . 0.0 111.519 -167.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -85.83 114.52 22.83 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 122.601 0.36 . . . . 0.0 110.374 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.02 112.6 20.34 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.227 0.611 . . . . 0.0 111.613 -169.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.419 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 35.4 m -115.71 137.75 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.629 1.572 . . . . 0.0 108.343 172.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -74.32 -60.19 2.38 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.34 0.656 . . . . 0.0 111.613 -158.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -141.99 -12.35 0.85 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -163.87 52.22 0.15 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.479 1.036 . . . . 0.0 109.644 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 77.41 -0.97 67.22 Favored Glycine 0 CA--C 1.527 0.803 0 O-C-N 121.664 -0.647 . . . . 0.0 114.053 168.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -73.28 115.66 12.89 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 166.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -55.57 155.23 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.506 0 C-N-CA 123.241 0.616 . . . . 0.0 111.051 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.9 t -70.2 52.18 0.13 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.394 1.078 . . . . 0.0 110.743 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 46.71 -120.65 1.07 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.296 1.838 . . . . 0.0 111.241 173.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.33 1.3 p 111.96 66.54 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 129.503 3.121 . . . . 0.0 111.787 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.07 -34.09 71.56 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 120.751 -1.218 . . . . 0.0 109.279 163.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD12 ' H ' ' A' ' 21' ' ' TYR . 1.1 pp -152.82 153.21 32.65 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.394 0.678 . . . . 0.0 110.333 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -56.9 -48.71 77.56 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.181 0.992 . . . . 0.0 111.775 -171.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -54.01 -39.64 66.27 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 119.533 -0.27 . . . . 0.0 110.882 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.418 ' H ' HD12 ' A' ' 18' ' ' LEU . 48.2 t80 -63.84 -52.59 59.42 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.319 0.648 . . . . 0.0 109.491 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -47.58 -54.41 11.85 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.302 0.572 . . . . 0.0 109.558 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -54.51 36.69 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.022 0.929 . . . . 0.0 110.215 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -53.15 -57.46 10.39 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.126 0.971 . . . . 0.0 112.117 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.3 mm -52.41 -45.14 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 124.962 1.305 . . . . 0.0 109.22 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -37.92 83.88 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -175.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.4 p -63.54 -39.45 94.45 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.268 170.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -67.28 -41.31 85.69 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.868 0.867 . . . . 0.0 112.313 -172.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.98 -36.53 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 C-N-CA 124.725 1.21 . . . . 0.0 111.63 -164.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -104.28 -24.64 13.09 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.092 1.357 . . . . 0.0 111.145 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.306 26.6 m-85 74.34 31.43 1.06 Allowed 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.279 1.832 . . . . 0.0 112.533 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.41 160.53 0.16 Allowed 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.044 0.938 . . . . 0.0 113.259 155.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -87.99 -39.82 14.38 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.854 0.862 . . . . 0.0 108.985 157.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 t -155.27 -160.8 1.09 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-N 119.265 0.939 . . . . 0.0 112.416 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.95 171.28 22.86 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 108.518 -1.833 . . . . 0.0 108.518 -166.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -178.13 174.45 1.35 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.691 0.796 . . . . 0.0 109.028 -173.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 92.5 m -69.41 92.62 0.61 Allowed 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 169.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.63 163.0 28.21 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 162.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -16.21 -54.74 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 129.12 2.968 . . . . 0.0 115.544 -170.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.14 24.6 1.79 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 m -161.83 162.1 29.26 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.022 -1.049 . . . . 0.0 111.048 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 109.79 1.01 Allowed 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 162.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.11 155.87 36.62 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 156.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -140.43 147.17 39.26 Favored 'General case' 0 N--CA 1.414 -2.273 0 O-C-N 124.563 1.164 . . . . 0.0 109.024 162.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -116.17 106.12 13.35 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 128.813 2.845 . . . . 0.0 105.059 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.27 -10.15 9.38 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.958 1.742 . . . . 0.0 114.705 168.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.74 HD12 ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -28.86 108.07 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.546 1.938 . . . . 0.0 109.559 173.645 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.93 -59.25 2.28 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.57 1.948 . . . . 0.0 106.925 -170.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -71.32 157.72 37.6 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.988 157.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' OD1' HG13 ' A' ' 53' ' ' VAL . 15.0 t0 -143.42 97.23 3.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 123.739 1.733 . . . . 0.0 107.148 -178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -56.9 -51.59 68.49 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.358 -2.201 . . . . 0.0 109.249 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 168.45 56.05 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 128.421 2.689 . . . . 0.0 107.357 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.557 HG11 HD22 ' A' ' 47' ' ' LEU . 32.1 m -62.72 140.08 20.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.257 -168.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.62 167.7 20.2 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 123.309 1.528 . . . . 0.0 112.148 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -93.03 105.34 17.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 112.093 -2.321 . . . . 0.0 109.09 -172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.18 137.7 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 122.909 0.484 . . . . 0.0 109.934 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.48 151.07 42.73 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 174.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.45 -57.66 11.35 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.897 0.771 . . . . 0.0 109.214 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.58 30.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.272 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -40.81 63.96 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.897 0.772 . . . . 0.0 110.001 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -58.93 5.9 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 175.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.4 m -51.97 -54.73 26.23 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 125.557 1.543 . . . . 0.0 109.716 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -48.17 -49.38 32.85 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 124.102 0.961 . . . . 0.0 110.859 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.1 m -94.69 20.34 8.74 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.14 0.976 . . . . 0.0 113.113 -172.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.76 -69.28 0.76 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 119.878 1.217 . . . . 0.0 109.133 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.2 t -48.73 -37.47 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 126.355 1.862 . . . . 0.0 111.621 -168.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -24.63 -61.1 0.06 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 128.162 2.585 . . . . 0.0 112.631 166.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.8 mt -116.77 -43.47 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 125.803 1.641 . . . . 0.0 109.664 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.3 mt . . . . . 0 C--N 1.339 0.144 0 C-N-CA 125.028 1.331 . . . . 0.0 108.554 176.78 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -49.12 152.71 1.07 Allowed 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.777 -1.202 . . . . 0.0 110.046 158.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.14 -160.46 17.33 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 108.196 -1.962 . . . . 0.0 108.196 169.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -106.03 126.54 52.32 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 166.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.91 138.36 36.14 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.867 HG11 HD13 ' A' ' 54' ' ' LEU . 16.6 m -124.15 144.61 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 122.952 0.501 . . . . 0.0 111.067 -173.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -77.76 -117.58 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.568 2.347 . . . . 0.0 110.623 -166.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 t -72.39 63.5 0.56 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.281 1.432 . . . . 0.0 108.663 165.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m 85.47 68.1 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.971 1.308 . . . . 0.0 109.226 154.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.425 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 85.36 -4.8 85.07 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 114.386 -1.279 . . . . 0.0 113.574 172.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -68.12 145.49 54.34 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 163.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.423 ' CG1' HG12 ' A' ' 7' ' ' VAL . 23.4 m -143.77 155.71 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.843 1.257 . . . . 0.0 109.291 -176.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.4 m -71.38 108.32 4.76 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 160.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.17 -65.2 0.72 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.999 0.919 . . . . 0.0 109.0 173.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.0 p 56.91 -179.51 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.726 2.41 . . . . 0.0 116.234 160.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.21 -46.53 1.11 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.798 1.639 . . . . 0.0 111.329 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.67 117.59 10.58 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.271 -0.893 . . . . 0.0 112.544 -170.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -61.56 -55.98 24.98 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.262 1.025 . . . . 0.0 111.221 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -53.87 -46.82 71.44 Favored 'General case' 0 N--CA 1.458 -0.056 0 C-N-CA 123.52 0.728 . . . . 0.0 110.944 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -50.04 -56.15 11.92 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.888 0.875 . . . . 0.0 110.475 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -42.77 98.51 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.358 -175.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -42.76 65.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.243 0.617 . . . . 0.0 110.904 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.42 -56.5 21.28 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 121.47 -0.768 . . . . 0.0 110.868 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 mm -59.31 -43.14 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.099 0.476 . . . . 0.0 109.965 -177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 25.2 m -46.07 -60.36 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.367 1.867 . . . . 0.0 110.403 173.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 t -72.72 -24.4 60.98 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.683 1.129 . . . . 0.0 113.551 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -79.74 -52.26 8.17 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 119.56 1.073 . . . . 0.0 112.27 -168.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 t -101.48 -51.77 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 126.243 1.817 . . . . 0.0 107.991 -171.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -80.29 -41.16 25.47 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.252 -167.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.326 28.5 m-85 83.62 51.1 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.181 2.192 . . . . 0.0 111.151 -176.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -78.37 -167.28 1.01 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.461 155.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -112.9 -57.18 2.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.021 1.329 . . . . 0.0 109.488 158.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.78 -162.73 0.83 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.515 1.126 . . . . 0.0 109.988 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.92 178.47 24.88 Favored Glycine 0 C--N 1.342 0.912 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -178.7 170.18 1.61 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.113 1.365 . . . . 0.0 108.721 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 60.3 m -75.84 86.14 2.81 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.2 t -62.87 164.57 7.86 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -7.99 -57.37 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 129.953 3.301 . . . . 0.0 115.204 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.52 39.83 0.57 Allowed 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 170.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -164.56 170.6 15.61 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 120.842 -1.161 . . . . 0.0 112.016 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.58 97.76 11.38 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.867 1.317 . . . . 0.0 112.115 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.42 152.2 44.47 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-N 112.726 -2.034 . . . . 0.0 109.323 164.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.896 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.255 5.0 m -148.78 141.94 25.0 Favored 'General case' 0 N--CA 1.418 -2.052 0 O-C-N 125.649 1.843 . . . . 0.0 106.673 -176.394 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -103.51 143.74 32.33 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 119.358 0.981 . . . . 0.0 109.654 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.55 57.5 9.34 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 124.36 0.981 . . . . 0.0 111.879 174.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.896 HD21 ' HB3' ' A' ' 44' ' ' CYS . 4.2 mt -61.29 126.97 29.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 169.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -96.16 -71.22 0.68 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -62.66 152.81 34.27 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 156.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -139.84 94.61 2.79 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 124.213 1.959 . . . . 0.0 107.079 -169.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -71.84 62.29 0.42 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 112.685 -2.052 . . . . 0.0 108.538 167.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 42.07 70.83 0.25 Allowed 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.98 2.112 . . . . 0.0 111.9 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.726 ' CG1' HD12 ' A' ' 47' ' ' LEU . 15.3 m -52.62 145.61 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.922 0.868 . . . . 0.0 112.955 -170.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.867 HD13 HG11 ' A' ' 7' ' ' VAL . 1.6 tp -63.61 166.96 6.2 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 123.542 1.639 . . . . 0.0 111.194 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 116.37 22.5 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 111.78 -2.464 . . . . 0.0 105.187 -175.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 pt -133.35 148.68 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 -153.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 144.01 25.58 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.56 -51.0 71.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 122.313 1.054 . . . . 0.0 109.853 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.67 50.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.359 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -40.93 66.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -60.96 2.58 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 174.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 t -47.41 -60.66 2.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.29 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -46.16 -44.68 16.11 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.288 1.435 . . . . 0.0 111.583 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.1 m -112.18 27.45 9.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 117.444 -1.265 . . . . 0.0 113.586 -169.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -127.91 -44.43 1.47 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.845 1.657 . . . . 0.0 110.101 173.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.11 -27.19 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 124.64 1.176 . . . . 0.0 112.669 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -43.42 -70.35 0.11 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 127.951 2.5 . . . . 0.0 113.766 -167.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.6 mt -93.38 -62.2 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.3 mt . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 124.844 1.258 . . . . 0.0 111.466 -174.543 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -67.32 143.11 56.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 158.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.05 -175.89 43.81 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -172.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -90.31 133.5 34.92 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 119.459 -0.305 . . . . 0.0 110.485 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -87.65 142.17 28.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.287 0.367 . . . . 0.0 110.285 174.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.414 HG11 HD13 ' A' ' 54' ' ' LEU . 11.3 m -135.31 152.52 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.592 0.757 . . . . 0.0 110.009 168.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.3 -63.64 0.9 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 126.243 1.817 . . . . 0.0 110.986 173.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 t -162.65 -47.01 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 128.251 2.62 . . . . 0.0 108.243 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 t -103.68 -42.48 5.63 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.025 1.33 . . . . 0.0 109.855 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.409 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 112.28 73.79 0.67 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 115.467 0.947 . . . . 0.0 115.467 167.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -72.7 77.71 1.11 Allowed 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 152.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 m -49.5 127.04 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 110.911 -173.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -81.51 53.88 2.21 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.727 0.811 . . . . 0.0 111.227 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -36.46 -84.84 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 128.058 2.543 . . . . 0.0 113.833 -167.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 162.5 0.26 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.052 1.741 . . . . 0.0 113.902 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -106.1 -41.79 5.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.008 1.323 . . . . 0.0 111.84 167.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.92 72.79 3.51 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.852 -1.155 . . . . 0.0 111.784 -176.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -6.77 -64.71 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 129.121 2.969 . . . . 0.0 116.837 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -49.21 -35.2 16.59 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.472 1.109 . . . . 0.0 112.779 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -45.85 -48.87 15.8 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 122.806 0.442 . . . . 0.0 111.384 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.37 -50.38 65.76 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.287 -0.864 . . . . 0.0 109.633 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -44.94 -51.14 10.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.325 1.05 . . . . 0.0 112.279 170.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -55.68 -57.63 11.16 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.626 0.77 . . . . 0.0 111.355 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.11 -37.6 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 123.511 0.724 . . . . 0.0 110.055 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 m -57.2 -51.13 70.57 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 125.553 1.541 . . . . 0.0 109.052 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -42.94 72.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 119.547 -0.861 . . . . 0.0 111.187 176.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -62.61 -52.75 62.13 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.433 -0.792 . . . . 0.0 111.855 -171.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.57 -44.74 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 C-N-CA 126.085 1.754 . . . . 0.0 110.32 -170.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -94.41 -8.63 38.12 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.01 0.924 . . . . 0.0 112.202 -171.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 59.33 33.73 22.59 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.836 0.855 . . . . 0.0 110.696 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.41 148.61 22.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.495 1.518 . . . . 0.0 108.678 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -75.06 -36.71 61.78 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.477 -0.765 . . . . 0.0 111.172 -171.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -145.34 -164.4 1.93 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.579 1.551 . . . . 0.0 107.834 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.25 173.91 23.01 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -174.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.92 169.88 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.688 1.195 . . . . 0.0 108.35 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.0 m -86.75 93.57 9.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -174.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.15 163.95 26.11 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.62 1.568 . . . . 0.0 109.828 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -5.58 -62.37 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 130.548 3.539 . . . . 0.0 114.75 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.29 44.89 0.55 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.801 0.841 . . . . 0.0 109.92 172.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.22 179.79 4.36 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 120.795 -1.191 . . . . 0.0 110.212 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.2 t -114.74 111.0 20.59 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 123.414 0.686 . . . . 0.0 112.209 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.23 144.63 31.45 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.114 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.6 ' CB ' HD21 ' A' ' 47' ' ' LEU . 1.5 m -134.74 141.31 46.45 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -103.89 137.75 41.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 119.543 1.065 . . . . 0.0 108.598 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.05 63.53 4.19 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.6 HD21 ' CB ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -62.39 75.04 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 117.467 0.634 . . . . 0.0 109.765 169.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.29 -57.14 11.57 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.973 0.892 . . . . 0.0 110.413 -171.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.33 -52.09 6.01 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.952 2.101 . . . . 0.0 110.688 169.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 t0 69.65 88.66 0.11 Allowed 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 129.772 3.229 . . . . 0.0 109.167 -176.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -67.73 -54.66 17.52 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.828 -169.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 175.14 59.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.955 2.102 . . . . 0.0 105.395 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.76 137.29 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.369 -156.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.414 HD13 HG11 ' A' ' 7' ' ' VAL . 1.4 tp -77.03 171.91 14.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 124.102 1.905 . . . . 0.0 114.302 -161.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -83.11 63.86 7.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 111.841 -2.436 . . . . 0.0 109.616 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pt -54.72 133.5 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.107 0.48 . . . . 0.0 110.718 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.3 147.5 48.04 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.27 -42.74 99.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 123.037 1.399 . . . . 0.0 110.988 -170.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.53 -41.63 77.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.705 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -42.42 68.83 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 118.815 0.734 . . . . 0.0 109.15 -178.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -49.95 -60.35 3.01 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.314 1.446 . . . . 0.0 108.613 173.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -53.07 -55.18 25.82 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.496 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -50.75 -42.81 57.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.921 0.889 . . . . 0.0 111.501 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.1 m -113.02 39.43 2.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.223 1.409 . . . . 0.0 111.862 -169.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -128.88 -55.6 1.2 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.892 1.223 . . . . 0.0 111.465 165.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.88 -29.0 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.663 1.185 . . . . 0.0 111.966 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -19.72 -66.76 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 129.677 3.191 . . . . 0.0 114.029 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mm -85.83 -17.84 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.447 0.699 . . . . 0.0 110.654 -171.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 177.574 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.424 ' HD3' ' H ' ' A' ' 3' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.482 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 22.2 p30 -127.9 158.56 37.47 Favored 'General case' 0 N--CA 1.428 -1.573 0 C-N-CA 127.621 2.369 . . . . 0.0 105.558 158.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.47 175.24 32.28 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 -167.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -79.61 106.6 11.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 124.283 0.637 . . . . 0.0 109.885 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.89 131.08 38.38 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 8.4 m -109.25 142.89 20.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 123.632 0.773 . . . . 0.0 109.717 -175.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -22.18 -109.5 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 131.097 3.759 . . . . 0.0 114.34 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -124.08 36.59 4.59 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.623 1.569 . . . . 0.0 107.042 153.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 t -154.22 -66.36 0.14 Allowed 'General case' 0 C--N 1.343 0.289 0 O-C-N 121.831 -0.543 . . . . 0.0 112.372 -175.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 157.4 -37.57 0.55 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 -161.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -24.27 127.88 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.658 1.183 . . . . 0.0 110.371 143.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.8 m -95.97 -176.78 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.205 1.002 . . . . 0.0 109.971 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 t -139.45 144.16 37.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 162.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -119.92 -175.49 2.98 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.097 1.759 . . . . 0.0 108.562 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.5 p 161.03 -178.16 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 127.951 2.5 . . . . 0.0 109.445 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.81 -41.42 8.46 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.851 1.26 . . . . 0.0 111.418 164.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.96 123.6 22.41 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.387 -0.82 . . . . 0.0 113.205 -169.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -54.59 -44.54 73.09 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.701 -0.624 . . . . 0.0 110.183 163.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -55.67 -44.24 77.09 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.745 1.218 . . . . 0.0 111.802 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -53.56 -53.32 53.38 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -52.09 62.68 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.107 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -42.33 -50.05 5.06 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 120.268 1.394 . . . . 0.0 111.946 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -56.64 -59.34 5.15 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 119.413 -0.327 . . . . 0.0 111.149 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mm -53.9 -56.61 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.14 0.976 . . . . 0.0 110.574 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 21.0 m -36.97 -56.88 0.85 Allowed 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 128.538 2.735 . . . . 0.0 111.339 173.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.11 -31.65 44.28 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.212 -175.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -65.05 -47.98 75.45 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.857 0.863 . . . . 0.0 110.584 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.2 t -106.32 -45.77 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 C-N-CA 124.73 1.212 . . . . 0.0 110.304 -167.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -100.88 -9.69 21.37 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.382 1.073 . . . . 0.0 111.93 -171.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.26 39.9 m-85 64.36 27.87 13.69 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.734 1.614 . . . . 0.0 113.439 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -81.69 143.22 32.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 122.749 0.419 . . . . 0.0 110.919 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -65.16 -43.39 91.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.566 0.698 . . . . 0.0 111.373 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 t -155.96 -164.55 1.73 Allowed 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.511 -0.743 . . . . 0.0 109.936 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.06 176.02 25.12 Favored Glycine 0 C--N 1.332 0.31 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 -154.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -170.53 164.72 8.47 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.3 m -75.14 91.09 2.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.6 t -67.84 165.05 18.32 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.449 1.499 . . . . 0.0 109.133 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -13.59 -57.93 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 129.071 2.948 . . . . 0.0 114.417 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.76 48.5 0.87 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.973 0.416 . . . . 0.0 111.669 170.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 t -168.74 -169.92 1.1 Allowed 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.179 -0.95 . . . . 0.0 109.952 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 t -117.06 107.03 14.03 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 124.558 1.143 . . . . 0.0 110.168 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.92 147.51 45.21 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.504 -1.226 . . . . 0.0 107.983 170.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -135.73 160.32 38.9 Favored 'General case' 0 N--CA 1.426 -1.641 0 C-N-CA 125.946 1.698 . . . . 0.0 108.018 172.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -127.15 23.52 6.47 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.65 1.98 . . . . 0.0 113.882 -172.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.28 49.84 0.2 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 169.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.735 ' H ' HD12 ' A' ' 47' ' ' LEU . 2.8 mp -60.01 163.59 4.61 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 122.248 1.023 . . . . 0.0 109.761 -178.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -67.24 -160.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.435 -1.711 . . . . 0.0 106.89 163.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.56 -171.35 0.12 Allowed 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.742 -0.599 . . . . 0.0 110.738 174.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -83.45 72.04 10.27 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 124.412 2.053 . . . . 0.0 109.515 -172.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 55.4 0.17 Allowed 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 112.682 -2.054 . . . . 0.0 109.738 161.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.2 63.09 2.34 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.272 1.829 . . . . 0.0 111.826 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 m -62.9 137.3 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 167.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.17 169.4 3.52 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 123.224 1.488 . . . . 0.0 111.69 -173.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -100.22 112.89 25.23 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 112.718 -2.037 . . . . 0.0 106.15 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 56' ' ' ILE . 21.1 pt -112.06 145.44 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 123.422 0.689 . . . . 0.0 109.591 -163.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 150.7 40.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -176.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -58.67 -61.72 2.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.969 0.89 . . . . 0.0 110.567 -170.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.73 -41.37 56.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.953 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.1 p -71.55 -31.31 66.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.081 -0.648 . . . . 0.0 112.312 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -65.85 0.57 Allowed 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 105.943 -1.873 . . . . 0.0 105.943 171.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -47.02 -49.16 21.58 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.655 0.782 . . . . 0.0 112.211 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -48.52 -49.75 34.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.415 1.086 . . . . 0.0 111.111 171.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.0 m -102.85 34.82 2.7 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.381 1.872 . . . . 0.0 112.622 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -118.37 -76.99 0.57 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.293 1.037 . . . . 0.0 109.227 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.48 -21.57 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 123.958 0.903 . . . . 0.0 111.458 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -19.98 -64.85 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 130.331 3.452 . . . . 0.0 114.86 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.34 -14.87 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.367 0.667 . . . . 0.0 111.688 -169.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.4 mt . . . . . 0 CA--C 1.532 0.257 0 O-C-N 121.055 -1.028 . . . . 0.0 108.478 -179.559 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.403 ' CB ' ' HA ' ' A' ' 45' ' ' PHE . 42.1 p-10 -73.01 147.21 45.34 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 153.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.88 -161.51 32.79 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 107.09 -2.404 . . . . 0.0 107.09 -159.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.4 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 9.4 m-30 -102.57 139.17 38.51 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 117.217 0.509 . . . . 0.0 110.56 175.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.85 130.52 42.77 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.708 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.501 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 3.6 m -113.04 147.94 16.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 O-C-N 123.102 0.251 . . . . 0.0 110.699 167.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -15.27 -76.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 128.966 2.906 . . . . 0.0 113.124 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 164.38 -44.3 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 130.834 3.654 . . . . 0.0 105.405 -164.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 p -95.53 19.19 11.38 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.772 2.029 . . . . 0.0 110.609 172.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.501 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 77.79 35.58 35.29 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.272 0.939 . . . . 0.0 114.442 162.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.2 127.0 55.46 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.08 151.55 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.8 t -67.59 137.62 55.81 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 166.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -46.08 -64.91 0.63 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.922 1.689 . . . . 0.0 110.129 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.286 0.7 OUTLIER 73.58 99.89 0.07 Allowed 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 127.025 2.13 . . . . 0.0 112.263 -178.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.71 -35.41 75.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.917 172.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 21' ' ' TYR . 1.1 pp -159.37 160.73 35.31 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.771 0.796 . . . . 0.0 111.49 -172.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -62.55 -46.98 85.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.373 1.069 . . . . 0.0 111.957 -170.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -55.68 -48.05 75.73 Favored 'General case' 0 CA--C 1.526 0.055 0 CA-C-O 119.691 -0.195 . . . . 0.0 110.595 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.497 ' H ' HD12 ' A' ' 18' ' ' LEU . 5.7 t80 -53.23 -53.63 47.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.5 t -53.09 -57.81 9.15 Favored 'General case' 0 C--O 1.225 -0.218 0 O-C-N 123.062 0.226 . . . . 0.0 110.779 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -50.36 -56.15 12.57 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.425 1.49 . . . . 0.0 111.453 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -51.86 -54.4 29.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 124.458 1.103 . . . . 0.0 111.423 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 mm -55.26 -46.1 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 123.814 0.846 . . . . 0.0 109.254 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.365 0.1 OUTLIER -67.13 -37.87 84.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -170.159 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.1 t -70.45 -37.83 74.39 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.607 167.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -66.16 -41.74 89.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 119.346 0.975 . . . . 0.0 110.852 -170.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -98.04 -62.9 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.338 0 C-N-CA 125.648 1.579 . . . . 0.0 108.262 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -90.07 -4.93 57.08 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.446 0.698 . . . . 0.0 112.838 -164.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 52.38 37.19 21.87 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 124.862 1.265 . . . . 0.0 111.9 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.42 140.88 44.99 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 167.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -76.22 -5.66 47.84 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.611 -0.681 . . . . 0.0 112.734 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.0 -165.47 0.24 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.992 1.317 . . . . 0.0 108.783 174.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.84 169.27 22.04 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 127.219 2.342 . . . . 0.0 107.629 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -175.17 169.2 3.32 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.314 1.446 . . . . 0.0 109.267 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.75 89.66 2.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.241 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.91 163.04 12.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 160.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.617 ' CD1' HG22 ' A' ' 60' ' ' THR . 8.4 mt -22.98 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 128.916 2.886 . . . . 0.0 116.352 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -149.59 32.96 0.7 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.743 0.701 . . . . 0.0 111.483 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.31 168.0 15.46 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 121.076 -1.015 . . . . 0.0 112.902 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.08 102.58 10.32 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.386 1.074 . . . . 0.0 110.559 169.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -59.99 151.35 26.52 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 113.932 -1.485 . . . . 0.0 107.814 151.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' CB ' HD21 ' A' ' 47' ' ' LEU . 16.5 m -157.55 131.64 8.22 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 -171.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.403 ' HA ' ' CB ' ' A' ' 3' ' ' ASN . 40.4 m-85 -100.34 128.91 46.29 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 119.034 0.834 . . . . 0.0 111.892 -169.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.85 61.17 7.1 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.519 HD21 ' CB ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -58.89 120.82 9.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -175.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -83.7 -57.37 3.25 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -48.11 -47.0 34.66 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.819 172.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.479 ' OD1' HG13 ' A' ' 53' ' ' VAL . 66.9 t0 45.44 81.46 0.04 OUTLIER 'General case' 0 C--N 1.341 0.239 0 CA-C-O 124.686 2.184 . . . . 0.0 110.681 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -75.46 71.32 2.4 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 111.645 -2.525 . . . . 0.0 108.889 161.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.95 57.52 6.46 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.749 1.22 . . . . 0.0 110.983 166.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.479 HG13 ' OD1' ' A' ' 50' ' ' ASP . 10.1 m -38.06 128.67 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 O-C-N 124.564 1.165 . . . . 0.0 112.015 -162.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.403 HD13 ' CG1' ' A' ' 7' ' ' VAL . 1.1 tp -65.12 170.51 4.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 123.594 1.664 . . . . 0.0 112.597 -171.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.64 121.91 44.53 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 111.696 -2.502 . . . . 0.0 107.673 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.24 150.23 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.859 1.664 . . . . 0.0 108.19 -172.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' NZ ' HG21 ' A' ' 60' ' ' THR . 1.5 mtmt -73.2 154.97 40.05 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 175.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.86 -43.58 83.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 122.877 1.323 . . . . 0.0 110.488 -169.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.5 72.67 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.588 171.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.617 HG22 ' CD1' ' A' ' 39' ' ' LEU . 59.7 p -69.27 -41.27 77.09 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 118.687 0.676 . . . . 0.0 111.522 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -49.5 -59.81 3.41 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 t -51.17 -56.15 14.27 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.407 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -50.01 -43.86 50.91 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.736 0.814 . . . . 0.0 110.908 176.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.2 m -106.72 34.35 3.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.071 1.348 . . . . 0.0 112.214 -169.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -125.7 -59.63 1.35 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.93 1.241 . . . . 0.0 112.072 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.17 -24.27 23.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.765 1.226 . . . . 0.0 112.089 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -20.43 -67.61 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 129.527 3.131 . . . . 0.0 113.591 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mm -89.71 -47.28 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.566 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.816 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -35.65 117.19 0.42 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.36 1.464 . . . . 0.0 110.585 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 -159.18 7.87 Favored Glycine 0 N--CA 1.459 0.185 0 N-CA-C 108.042 -2.023 . . . . 0.0 108.042 -166.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.02 156.34 24.27 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.047 154.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.465 ' HB1' ' CZ ' ' A' ' 30' ' ' TYR . . . -86.15 139.54 30.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.789 176.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 m -137.08 143.67 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 149.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -158.05 0.37 Allowed 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.115 0.884 . . . . 0.0 111.175 -172.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t -72.91 48.54 0.21 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.526 -1.216 . . . . 0.0 109.244 154.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -165.87 -53.77 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.368 1.067 . . . . 0.0 109.687 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.32 31.88 66.97 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 123.502 0.572 . . . . 0.0 113.445 -171.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.28 81.59 0.09 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 157.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 m -46.81 121.95 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 122.006 0.908 . . . . 0.0 112.054 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.8 m -78.08 75.62 4.61 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -47.59 -62.39 1.47 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.814 1.245 . . . . 0.0 109.374 169.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.3 p 56.94 178.4 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.753 2.421 . . . . 0.0 115.577 169.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -50.2 0.95 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.503 1.521 . . . . 0.0 110.029 173.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.97 75.05 5.49 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.076 -1.015 . . . . 0.0 111.72 -171.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -18.79 -50.62 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.831 2.852 . . . . 0.0 116.293 174.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -48.34 -47.72 36.79 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.846 1.258 . . . . 0.0 111.424 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.59 -50.51 69.92 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.922 0.889 . . . . 0.0 109.749 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.29 -53.37 58.08 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.041 0.448 . . . . 0.0 109.802 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -47.46 65.29 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.719 1.208 . . . . 0.0 110.015 176.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.73 -56.17 24.91 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 121.791 -0.568 . . . . 0.0 111.836 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.9 mm -53.56 -50.93 46.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.987 0.915 . . . . 0.0 109.888 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 7.0 m -46.22 -50.92 15.25 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.569 1.947 . . . . 0.0 110.655 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -76.66 -31.67 57.45 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.644 -1.285 . . . . 0.0 112.751 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -46.18 63.42 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.225 -0.922 . . . . 0.0 110.702 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 t -105.16 -53.2 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 C-N-CA 125.485 1.514 . . . . 0.0 109.294 -172.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.465 ' CZ ' ' HB1' ' A' ' 6' ' ' ALA . 98.2 m-85 -75.96 -45.21 36.1 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.174 -167.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.306 21.3 m-85 82.97 31.85 0.08 Allowed 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 126.341 1.856 . . . . 0.0 111.037 -171.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -50.71 162.17 0.28 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.994 144.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 t -92.31 -22.31 19.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.783 0.833 . . . . 0.0 111.912 164.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -167.48 -157.11 0.22 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.33 174.29 31.0 Favored Glycine 0 C--N 1.338 0.653 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 -170.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.45 172.43 7.1 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.447 1.099 . . . . 0.0 109.533 177.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.0 m -76.73 89.46 3.39 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 125.835 1.654 . . . . 0.0 108.98 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.5 t -83.89 163.67 19.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.792 1.237 . . . . 0.0 109.733 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -39.67 -21.49 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 129.892 3.277 . . . . 0.0 117.557 -167.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.02 22.1 0.37 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.087 1.312 . . . . 0.0 113.658 166.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -173.44 -173.81 0.93 Allowed 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.038 -1.039 . . . . 0.0 109.854 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 104.58 17.15 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 125.354 1.461 . . . . 0.0 109.987 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.13 147.89 28.46 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-N 114.559 -1.201 . . . . 0.0 109.294 161.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.737 ' CB ' HD21 ' A' ' 47' ' ' LEU . 17.0 m -136.48 117.77 14.59 Favored 'General case' 0 N--CA 1.413 -2.317 0 O-C-N 125.659 1.849 . . . . 0.0 106.41 172.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -75.32 151.42 38.28 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.054 0.942 . . . . 0.0 109.826 170.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.52 48.9 27.77 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 124.762 1.172 . . . . 0.0 112.234 172.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.737 HD21 ' CB ' ' A' ' 44' ' ' CYS . 49.8 mt -63.18 146.89 52.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 163.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -133.16 -51.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.833 0.853 . . . . 0.0 110.024 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -62.39 165.28 6.24 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.607 157.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -143.34 100.98 3.72 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 170.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -56.01 7.56 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.818 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -177.91 57.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.254 2.222 . . . . 0.0 107.045 170.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.585 HG11 HD13 ' A' ' 47' ' ' LEU . 20.0 m -60.17 151.09 5.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.125 0.488 . . . . 0.0 110.125 -168.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.6 161.13 31.27 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 123.513 1.625 . . . . 0.0 110.87 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -124.8 70.46 1.14 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 111.617 -2.538 . . . . 0.0 105.946 -157.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 pt -90.06 157.8 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.849 -150.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -61.69 145.08 53.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.373 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 2.6 m-20 -62.18 -39.81 93.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.524 2.33 . . . . 0.0 110.929 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.13 -60.98 2.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.756 166.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -38.48 80.86 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 58' ' ' ASP . 9.6 mttt -48.68 -55.01 12.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.825 0.739 . . . . 0.0 110.583 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.3 t -63.21 -56.55 15.69 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.343 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -51.63 -30.69 22.39 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 126.471 1.909 . . . . 0.0 112.22 -175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.4 m -120.83 33.23 5.64 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.745 -1.121 . . . . 0.0 111.035 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -137.71 -51.37 0.62 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.154 1.343 . . . . 0.0 111.585 164.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.71 -35.3 13.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.679 1.192 . . . . 0.0 110.824 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -20.35 -66.54 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 128.69 2.796 . . . . 0.0 113.045 165.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.1 mt -100.41 -40.66 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.6 mm . . . . . 0 C--O 1.231 0.117 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.137 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.447 ' CB ' ' HA ' ' A' ' 45' ' ' PHE . 12.0 p-10 -65.04 108.08 1.71 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.002 -1.061 . . . . 0.0 108.804 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.6 -167.6 16.51 Favored Glycine 0 CA--C 1.522 0.485 0 C-N-CA 126.02 1.771 . . . . 0.0 109.166 -166.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -106.36 147.28 29.42 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 118.803 -1.159 . . . . 0.0 108.37 146.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.85 137.44 40.15 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 125.221 1.576 . . . . 0.0 109.517 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.531 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -102.64 161.99 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.223 0.609 . . . . 0.0 110.07 165.303 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -52.03 168.48 0.09 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.759 1.223 . . . . 0.0 111.051 165.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -52.31 -20.7 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.652 -1.613 . . . . 0.0 112.536 169.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 p -125.79 31.98 5.38 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.674 1.124 . . . . 0.0 111.707 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.531 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 78.55 42.65 13.6 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 114.275 0.47 . . . . 0.0 114.275 157.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -123.64 131.7 53.68 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.608 0.763 . . . . 0.0 109.538 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 m -76.22 136.33 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 122.994 0.518 . . . . 0.0 110.152 -176.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -82.9 68.94 9.59 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 177.49 2.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.007 0.432 . . . . 0.0 110.828 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.7 p 160.96 174.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 126.847 2.059 . . . . 0.0 111.167 -162.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.12 -42.14 9.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.919 0.888 . . . . 0.0 111.156 162.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.69 117.03 12.75 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.351 -0.843 . . . . 0.0 113.156 -168.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -48.96 -51.4 30.59 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.18 0.992 . . . . 0.0 110.999 170.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -56.47 -49.88 73.37 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.704 0.801 . . . . 0.0 110.497 -174.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -49.92 -60.0 3.33 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.043 0.937 . . . . 0.0 110.247 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -51.48 -53.8 33.63 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.451 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -49.45 75.69 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -176.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -52.64 -53.23 49.92 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 124.561 1.144 . . . . 0.0 110.795 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.9 mm -60.6 -48.34 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.267 0.627 . . . . 0.0 109.896 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -37.09 85.83 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.92 -168.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.7 t -76.04 -47.58 24.2 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 123.324 0.39 . . . . 0.0 111.204 169.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -52.6 -52.5 55.05 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.875 0.87 . . . . 0.0 110.786 -170.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 t -89.26 -60.25 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 C-N-CA 124.268 1.027 . . . . 0.0 108.591 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.48 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -109.64 17.64 21.1 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.382 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 p90 54.65 36.42 26.02 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 159.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HB2' ' CD2' ' A' ' 47' ' ' LEU . . . -62.71 -173.68 0.05 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.561 0.344 . . . . 0.0 110.119 147.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.9 p -108.01 -93.1 0.41 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.433 1.093 . . . . 0.0 108.798 168.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -83.45 -164.84 0.96 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.014 1.326 . . . . 0.0 109.328 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.16 170.51 16.87 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 -174.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -175.07 160.4 2.75 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.033 1.733 . . . . 0.0 108.766 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.0 m -75.37 88.5 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.69 168.89 4.43 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.921 1.289 . . . . 0.0 108.561 169.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 tp 0.44 -64.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 130.529 3.532 . . . . 0.0 115.349 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.38 39.36 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.707 1.203 . . . . 0.0 110.249 173.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 m -161.74 153.51 19.04 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.193 -0.942 . . . . 0.0 110.673 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.8 t -86.54 103.68 15.28 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.942 0.877 . . . . 0.0 110.906 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.85 150.31 48.78 Favored 'General case' 0 CA--C 1.495 -1.158 0 C-N-CA 126.422 1.889 . . . . 0.0 108.715 169.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.961 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.265 23.6 m -158.62 110.47 2.21 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -157.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' HA ' ' CB ' ' A' ' 3' ' ' ASN . 24.8 m-85 -83.55 141.09 31.84 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 123.188 0.305 . . . . 0.0 110.639 -168.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.44 61.3 5.16 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 124.241 0.924 . . . . 0.0 111.905 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.961 HD21 ' HB3' ' A' ' 44' ' ' CYS . 1.8 mt -63.4 116.12 5.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 163.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -92.12 -76.26 0.46 Allowed 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.05 149.89 2.58 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 153.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.95 85.33 2.36 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 129.257 3.023 . . . . 0.0 106.569 -163.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.61 ' CD ' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -83.34 56.73 3.67 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 126.534 1.934 . . . . 0.0 107.4 -175.274 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 38.25 55.95 1.74 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.83 1.652 . . . . 0.0 109.865 -166.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.91 144.98 8.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 CA-C-O 121.313 0.578 . . . . 0.0 109.727 -166.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.22 164.6 26.45 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 124.167 1.937 . . . . 0.0 114.243 -162.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -83.47 66.61 8.98 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 111.846 -2.433 . . . . 0.0 107.579 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.49 134.9 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.118 -176.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.558 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -91.08 146.84 23.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -172.559 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.79 -41.86 91.46 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 125.528 1.531 . . . . 0.0 110.84 -168.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.42 -54.11 36.4 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.078 166.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.3 p -68.01 -30.53 69.8 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.15 -1.02 . . . . 0.0 112.529 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -54.21 -58.0 9.05 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.011 1.325 . . . . 0.0 107.856 173.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -63.25 -48.4 78.35 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 119.087 -1.045 . . . . 0.0 110.987 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -49.55 -42.36 43.92 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 123.609 0.764 . . . . 0.0 111.123 176.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 59.7 m -125.34 52.59 1.6 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.916 1.286 . . . . 0.0 111.134 -167.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -139.59 -60.57 0.55 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.445 0.641 . . . . 0.0 110.818 164.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -45.78 -37.54 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.238 1.815 . . . . 0.0 111.456 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -22.48 -63.16 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 128.292 2.637 . . . . 0.0 112.918 168.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.9 mt -106.65 -35.53 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 C-N-CA 124.388 1.075 . . . . 0.0 108.55 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 C--N 1.34 0.191 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 168.727 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.461 ' HA ' HD11 ' A' ' 47' ' ' LEU . 8.7 m-20 -125.2 152.74 44.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.513 1.052 . . . . 0.0 109.502 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.56 168.38 40.75 Favored Glycine 0 CA--C 1.52 0.345 0 O-C-N 121.206 -0.934 . . . . 0.0 110.801 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -86.13 108.29 18.24 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 171.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.03 137.28 40.13 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -172.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 m -143.1 159.48 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 166.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -160.0 0.38 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.511 0.672 . . . . 0.0 109.742 172.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -74.51 47.79 0.32 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.006 154.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -135.2 -58.6 0.79 Allowed 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.905 1.282 . . . . 0.0 108.589 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.69 64.56 3.36 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 122.349 0.971 . . . . 0.0 110.923 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.63 147.05 52.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 104.533 -2.395 . . . . 0.0 104.533 154.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -75.21 126.75 36.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 121.163 0.506 . . . . 0.0 111.088 -167.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 m -75.39 64.04 1.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.376 0.67 . . . . 0.0 109.309 170.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 177.82 1.11 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 168.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.5 p 155.15 169.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.272 1.829 . . . . 0.0 110.731 -162.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.96 -37.55 5.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.881 1.272 . . . . 0.0 110.012 158.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.07 80.17 2.91 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.116 -0.99 . . . . 0.0 110.943 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -27.06 -45.98 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.477 2.311 . . . . 0.0 114.635 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -41.84 -48.7 4.41 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.2 1.4 . . . . 0.0 112.88 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.42 -56.3 22.88 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.621 0.646 . . . . 0.0 109.985 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.13 -55.37 21.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.733 0.813 . . . . 0.0 109.203 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -51.68 -56.42 13.78 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 123.788 0.835 . . . . 0.0 111.908 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -49.86 -54.8 17.22 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.276 1.431 . . . . 0.0 111.787 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.47 -47.38 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.636 0.731 . . . . 0.0 109.764 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.85 -40.07 91.38 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.465 -169.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -71.9 -42.28 66.94 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 172.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -53.76 -50.44 66.02 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 123.576 0.75 . . . . 0.0 111.293 -175.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.6 t -98.64 -50.5 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 123.816 0.847 . . . . 0.0 110.722 -171.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -103.17 -7.49 21.2 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 124.259 1.024 . . . . 0.0 112.716 -168.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.323 60.9 m-85 65.95 33.14 8.03 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.64 179.08 0.26 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.717 0.77 . . . . 0.0 112.705 157.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.8 p -129.79 -83.76 0.55 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.771 2.428 . . . . 0.0 107.22 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 m -77.49 171.27 15.16 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 167.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.95 156.3 8.3 Favored Glycine 0 C--N 1.33 0.225 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 -167.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -179.9 176.64 0.73 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -158.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 m -76.09 97.23 4.02 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 174.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.67 160.29 23.76 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 169.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -9.05 -62.07 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 129.992 3.317 . . . . 0.0 114.977 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.46 5.76 3.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.971 1.308 . . . . 0.0 112.857 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -163.54 -175.69 4.31 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 121.239 -0.913 . . . . 0.0 111.425 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.7 t -109.65 108.76 19.28 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 124.351 1.061 . . . . 0.0 111.61 -162.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -92.62 153.57 18.92 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.984 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.5 m -149.63 150.36 32.05 Favored 'General case' 0 N--CA 1.418 -2.061 0 O-C-N 125.211 1.569 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -128.36 122.49 31.61 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 128.123 2.569 . . . . 0.0 105.056 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.82 -14.63 37.92 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 117.362 -1.799 . . . . 0.0 113.453 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -32.8 101.44 0.02 OUTLIER 'General case' 0 C--N 1.35 0.621 0 C-N-CA 125.949 1.699 . . . . 0.0 110.366 175.551 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.55 -49.81 73.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.983 1.313 . . . . 0.0 109.253 -168.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -101.72 159.75 15.05 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 112.727 -2.033 . . . . 0.0 108.229 160.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -122.11 33.12 5.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.814 1.646 . . . . 0.0 110.658 -166.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -10.57 -64.88 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.129 1 C-N-CA 131.726 4.01 . . . . 0.0 114.216 -156.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.51 54.05 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.152 -1.386 . . . . 0.0 107.449 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 m -55.06 144.66 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-O 121.967 0.889 . . . . 0.0 112.408 -169.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.73 167.37 20.03 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 123.025 1.393 . . . . 0.0 109.43 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.32 132.98 43.35 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 112.823 -1.989 . . . . 0.0 109.765 -175.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -98.88 138.05 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 124.646 1.179 . . . . 0.0 108.969 178.251 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -71.64 147.08 47.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 168.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -40.31 95.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 122.924 1.345 . . . . 0.0 111.032 -168.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.66 82.68 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.765 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -41.77 68.0 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 118.89 0.768 . . . . 0.0 109.486 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -50.03 -61.07 2.36 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 125.32 1.448 . . . . 0.0 108.429 172.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -53.21 -54.83 30.31 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.587 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -49.0 -43.53 40.32 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 124.332 1.053 . . . . 0.0 111.153 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 91.1 m -109.64 40.09 1.96 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 112.216 -172.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -133.79 -53.53 0.87 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.582 1.537 . . . . 0.0 110.979 167.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.6 t -48.79 -31.94 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.003 1.321 . . . . 0.0 111.782 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -17.39 -61.08 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 129.641 3.176 . . . . 0.0 114.559 170.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.9 mm -67.78 -27.1 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 122.615 0.366 . . . . 0.0 111.65 -170.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.3 mt . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.731 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.18 150.97 2.2 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.641 1.176 . . . . 0.0 110.236 167.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 -137.43 2.27 Favored Glycine 0 C--N 1.328 0.091 0 N-CA-C 107.721 -2.152 . . . . 0.0 107.721 156.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -111.43 135.48 51.93 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 118.647 1.224 . . . . 0.0 112.154 160.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.559 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -72.88 130.63 40.85 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 124.312 1.008 . . . . 0.0 109.311 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.526 HG11 HD13 ' A' ' 54' ' ' LEU . 27.9 m -138.22 153.05 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 160.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -93.72 -152.97 0.35 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.057 0.456 . . . . 0.0 111.617 -169.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -68.83 48.12 0.06 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.91 149.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 8' ' ' ASP . 65.4 p -141.09 -49.48 0.42 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 127.087 2.155 . . . . 0.0 109.697 175.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.52 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 82.33 12.09 81.14 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.932 1.253 . . . . 0.0 111.52 -165.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -91.5 132.24 36.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.094 0.947 . . . . 0.0 109.658 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.69 160.56 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.074 0.95 . . . . 0.0 109.422 168.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -86.25 127.56 34.78 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 158.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -70.18 -71.16 0.25 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.163 0.985 . . . . 0.0 108.494 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.4 p 59.77 178.31 0.09 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 127.599 2.359 . . . . 0.0 116.042 160.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.85 -43.98 1.21 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.83 1.652 . . . . 0.0 111.653 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.89 116.43 11.18 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.108 -0.995 . . . . 0.0 112.986 -172.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -60.25 -53.82 53.1 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.894 0.877 . . . . 0.0 110.403 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -43.63 82.46 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.209 0.604 . . . . 0.0 110.683 -175.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -51.3 -55.46 18.2 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -50.76 72.52 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.458 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -44.1 -49.44 8.9 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.026 1.331 . . . . 0.0 111.415 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.94 -51.2 70.26 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 121.827 -0.546 . . . . 0.0 111.191 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.8 mm -56.52 -54.0 33.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.581 1.153 . . . . 0.0 110.179 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 13.7 m -42.06 -55.86 3.04 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 128.505 2.722 . . . . 0.0 110.369 176.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 t -75.11 -33.23 61.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.053 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -52.51 -53.07 50.99 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 124.012 0.925 . . . . 0.0 112.289 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -115.39 -44.34 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 123.654 0.781 . . . . 0.0 110.253 -165.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CD1' ' HB1' ' A' ' 6' ' ' ALA . 14.4 m-85 -89.0 -2.68 58.7 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.03 1.332 . . . . 0.0 111.388 -174.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.291 85.6 m-85 47.89 37.6 7.68 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.575 1.55 . . . . 0.0 112.226 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -61.54 173.34 0.97 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.839 0.828 . . . . 0.0 110.28 162.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -97.07 -91.22 0.25 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 166.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 m -85.73 -167.42 1.84 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.824 1.25 . . . . 0.0 110.346 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.22 170.31 15.38 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -173.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -176.51 168.98 2.67 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.83 1.252 . . . . 0.0 109.167 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -76.55 89.06 3.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.3 t -59.47 159.43 8.19 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 168.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -9.7 -57.19 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.28 3.032 . . . . 0.0 115.572 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.41 47.47 0.75 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.018 0.437 . . . . 0.0 110.73 168.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -162.06 170.21 19.62 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 120.923 -1.11 . . . . 0.0 110.381 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 t -103.0 95.73 6.33 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 122.023 0.916 . . . . 0.0 111.334 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.9 145.61 56.06 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-N 113.425 -1.716 . . . . 0.0 109.42 172.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.788 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.281 16.3 m -146.59 137.8 24.3 Favored 'General case' 0 N--CA 1.418 -2.065 0 O-C-N 126.049 2.093 . . . . 0.0 105.698 -174.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -103.71 134.01 47.75 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.249 0.931 . . . . 0.0 109.914 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.46 60.75 8.08 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 44' ' ' CYS . 3.7 mt -56.98 129.77 43.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 170.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -108.52 -62.45 1.46 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -169.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.405 ' CG ' ' HZ3' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -47.41 -61.85 1.72 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.526 -1.215 . . . . 0.0 107.762 157.529 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.2 t0 44.57 62.13 2.17 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 123.354 1.549 . . . . 0.0 109.227 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' HD2' ' H ' ' A' ' 51' ' ' LYS 0.282 0.0 OUTLIER -60.12 -31.74 70.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.741 -175.315 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.94 109.14 0.11 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.512 1.525 . . . . 0.0 108.431 154.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.488 ' CG1' HD12 ' A' ' 47' ' ' LEU . 9.9 m -53.43 149.75 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 119.889 1.222 . . . . 0.0 109.39 166.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.526 HD13 HG11 ' A' ' 7' ' ' VAL . 2.5 tp -67.09 166.46 13.82 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 123.929 1.823 . . . . 0.0 112.407 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.25 71.78 10.2 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 111.658 -2.519 . . . . 0.0 107.265 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.27 147.27 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.235 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.594 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -88.57 137.21 32.52 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 176.335 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.96 -45.17 86.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.96 1.362 . . . . 0.0 111.827 -159.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.1 77.66 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.748 172.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.1 p -72.75 -36.08 67.62 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 118.582 -1.247 . . . . 0.0 111.85 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -49.7 -58.62 4.94 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 125.45 1.5 . . . . 0.0 108.686 169.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.3 m -55.24 -51.92 65.07 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.788 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -53.44 -42.64 67.34 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.058 0.543 . . . . 0.0 111.417 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.9 m -106.28 29.15 7.06 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 125.107 1.363 . . . . 0.0 113.016 -168.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -124.86 -52.25 1.68 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.132 1.333 . . . . 0.0 111.281 169.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.5 t -52.16 -31.89 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 124.557 1.143 . . . . 0.0 112.01 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -20.4 -71.03 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 130.406 3.482 . . . . 0.0 113.429 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.6 -16.57 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 124.215 1.006 . . . . 0.0 110.885 -175.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 174.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HE3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 58.34 98.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.412 2.285 . . . . 0.0 110.251 175.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.01 -159.76 11.14 Favored Glycine 0 N--CA 1.462 0.388 0 C-N-CA 125.899 1.714 . . . . 0.0 109.295 -165.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.421 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 3.9 m-30 -113.33 131.31 56.01 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 162.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . . . -108.96 133.41 52.99 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 119.647 -0.821 . . . . 0.0 112.263 -167.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.474 ' CB ' ' HA2' ' A' ' 11' ' ' GLY . 34.4 m -149.55 150.12 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 126.698 1.999 . . . . 0.0 105.871 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.29 -66.73 0.33 Allowed 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 126.162 1.785 . . . . 0.0 112.107 -168.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -168.27 36.55 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 126.438 1.895 . . . . 0.0 107.381 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.7 p -162.61 -73.11 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -174.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.474 ' HA2' ' CB ' ' A' ' 7' ' ' VAL . . . 159.64 46.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 -177.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.91 73.87 2.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.712 1.256 . . . . 0.0 108.921 171.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.11 119.58 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 121.925 0.869 . . . . 0.0 110.379 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -79.52 68.3 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.046 0.938 . . . . 0.0 109.435 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 175.17 2.76 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.195 171.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.9 p 157.69 175.29 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 128.656 2.782 . . . . 0.0 111.03 -172.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.537 ' H ' HD23 ' A' ' 17' ' ' LEU . 1.8 pt? -94.18 -42.75 8.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.15 0.98 . . . . 0.0 111.167 160.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.4 71.16 5.95 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.181 -0.95 . . . . 0.0 112.033 -171.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -7.56 -56.57 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.093 2.957 . . . . 0.0 116.892 168.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -50.28 -38.57 41.81 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.147 1.379 . . . . 0.0 112.077 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -52.07 -52.89 48.3 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.766 0.426 . . . . 0.0 110.122 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -53.66 55.46 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -49.17 -56.65 8.56 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.419 1.088 . . . . 0.0 111.272 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -49.14 -58.73 4.48 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 124.706 1.202 . . . . 0.0 111.321 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.1 mm -57.55 -41.22 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 6' ' ' ALA 0.267 0.9 OUTLIER -65.83 -41.59 91.6 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 120.434 -0.506 . . . . 0.0 112.054 -166.561 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -71.46 -48.78 47.11 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 170.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.66 -50.29 60.67 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.626 1.17 . . . . 0.0 111.908 -170.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -97.17 -52.61 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.517 0 C-N-CA 125.288 1.435 . . . . 0.0 109.674 -172.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -104.57 0.25 28.45 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -165.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.281 99.1 m-85 54.03 46.47 25.43 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HB2' HD23 ' A' ' 47' ' ' LEU . . . -61.47 176.75 0.45 Allowed 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.818 139.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.9 p -109.3 -30.64 7.9 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.563 1.945 . . . . 0.0 110.82 161.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.76 -164.18 1.95 Allowed 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.46 -0.775 . . . . 0.0 110.095 174.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 175.71 20.21 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 -165.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -171.81 165.61 6.51 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.427 1.491 . . . . 0.0 108.109 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.5 m -75.64 85.35 2.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.65 167.91 14.19 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.342 1.057 . . . . 0.0 108.322 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -3.98 -55.92 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 131.008 3.723 . . . . 0.0 116.676 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.23 29.87 0.44 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 172.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.421 ' HB2' ' CE2' ' A' ' 5' ' ' TYR . 4.3 m -170.48 171.21 6.58 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.156 -0.965 . . . . 0.0 110.63 -173.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.3 t -95.84 100.82 12.48 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.02 152.72 44.88 Favored 'General case' 0 CA--C 1.482 -1.671 0 O-C-N 125.394 1.684 . . . . 0.0 108.975 167.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.821 ' HB3' HD21 ' A' ' 47' ' ' LEU . 94.8 m -152.21 116.08 4.87 Favored 'General case' 0 N--CA 1.404 -2.733 0 O-C-N 126.066 2.104 . . . . 0.0 107.865 -171.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -86.21 143.9 27.73 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.782 1.633 . . . . 0.0 108.741 171.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.21 2.81 79.82 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 117.965 -1.464 . . . . 0.0 114.212 171.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 44' ' ' CYS . 7.4 mt -40.82 123.53 1.93 Allowed 'General case' 0 C--N 1.344 0.346 0 CA-C-N 118.483 1.142 . . . . 0.0 112.051 -173.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -117.52 -64.55 1.29 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 124.468 1.107 . . . . 0.0 110.276 -170.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -63.45 -39.67 95.08 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.684 1.194 . . . . 0.0 109.811 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 t0 56.96 47.43 17.69 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 123.163 1.458 . . . . 0.0 110.929 163.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -37.29 -66.07 0.26 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.812 2.045 . . . . 0.0 112.634 -168.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.38 64.31 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 -172.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.404 HG21 ' HE3' ' A' ' 2' ' ' LYS . 27.2 m -64.08 154.72 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.496 -167.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.05 168.29 10.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 123.02 1.391 . . . . 0.0 110.303 169.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -115.22 118.27 32.84 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 127.584 2.354 . . . . 0.0 106.391 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.5 pt -113.97 140.24 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.779 0.323 . . . . 0.0 110.371 -159.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.05 145.47 46.37 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.213 0.605 . . . . 0.0 109.671 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -58.05 -51.88 67.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 122.227 1.013 . . . . 0.0 109.899 -173.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.29 -37.92 50.03 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.265 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.57 -43.16 70.03 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.889 0.768 . . . . 0.0 109.345 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -59.92 3.68 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -50.81 -52.45 41.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.656 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -53.98 -44.02 70.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.501 0.721 . . . . 0.0 110.899 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.6 m -108.01 26.89 9.83 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.391 1.076 . . . . 0.0 113.17 -168.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -100.32 -73.55 0.63 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.666 1.121 . . . . 0.0 110.62 175.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.9 t -56.19 -27.23 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.81 1.644 . . . . 0.0 112.554 -169.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -28.61 -67.29 0.07 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 128.981 2.912 . . . . 0.0 112.793 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.87 -39.88 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 124.085 0.954 . . . . 0.0 109.052 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 171.388 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.485 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 33.6 p-10 -126.92 142.67 51.49 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.177 1.391 . . . . 0.0 108.082 166.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.99 168.57 40.88 Favored Glycine 0 CA--C 1.521 0.461 0 O-C-N 121.288 -0.883 . . . . 0.0 112.872 -155.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.503 ' CD2' HG22 ' A' ' 56' ' ' ILE . 4.0 m-30 -83.11 102.84 12.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.609 1.163 . . . . 0.0 109.943 171.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.33 136.97 34.91 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.766 0.666 . . . . 0.0 109.45 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.498 ' CB ' ' HA2' ' A' ' 11' ' ' GLY . 21.1 m -135.63 151.29 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -1.08 -77.92 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 128.098 2.559 . . . . 0.0 113.595 159.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t 174.92 -42.04 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 131.31 3.844 . . . . 0.0 105.419 -168.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.4 t -89.56 -61.57 1.67 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.887 1.275 . . . . 0.0 109.118 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.498 ' HA2' ' CB ' ' A' ' 7' ' ' VAL . . . 162.62 27.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 117.135 1.614 . . . . 0.0 117.135 -174.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 83.86 2.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.293 1.547 . . . . 0.0 108.065 173.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.1 m -57.05 122.99 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -83.41 57.98 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.82 -0.55 . . . . 0.0 109.605 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -33.01 -82.2 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.801 2.441 . . . . 0.0 113.65 -166.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 71.84 166.99 0.31 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.151 1.78 . . . . 0.0 114.818 175.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.61 -55.12 2.51 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.46 1.504 . . . . 0.0 110.904 166.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.36 83.71 5.36 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.708 -1.245 . . . . 0.0 111.781 -171.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -12.52 -56.61 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 129.51 3.124 . . . . 0.0 116.319 171.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -39.39 -47.23 1.75 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.527 1.131 . . . . 0.0 112.102 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -53.56 -46.24 70.2 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.832 0.853 . . . . 0.0 111.669 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -49.21 74.17 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -41.32 58.52 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.331 0.514 . . . . 0.0 111.264 174.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.34 -57.46 12.9 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 121.667 -0.645 . . . . 0.0 111.452 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.58 -47.32 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 O-C-N 121.78 -0.575 . . . . 0.0 110.142 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.531 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 24.2 m -43.8 -58.69 2.59 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 127.469 2.308 . . . . 0.0 110.904 175.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -69.59 -42.42 74.48 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.42 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.01 -44.44 82.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.879 0.872 . . . . 0.0 111.828 -173.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.7 t -104.95 -43.81 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.157 0 C-N-CA 125.245 1.418 . . . . 0.0 111.019 -169.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -104.36 -9.35 18.55 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.117 0.967 . . . . 0.0 112.038 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.266 28.7 m-85 62.57 29.06 16.95 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.743 1.217 . . . . 0.0 112.621 -178.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -69.83 150.75 46.5 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.203 0.525 . . . . 0.0 110.768 168.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.9 p -84.15 -32.27 24.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.068 1.747 . . . . 0.0 110.659 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.3 t -148.06 -168.5 3.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.448 1.099 . . . . 0.0 108.895 177.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.68 169.14 13.61 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 -166.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -175.29 175.13 2.26 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -173.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 71.1 m -93.55 87.19 5.44 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 -171.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.4 t -69.04 164.55 22.16 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.647 1.579 . . . . 0.0 109.38 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tp -10.75 -59.11 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 129.466 3.106 . . . . 0.0 115.233 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -153.2 39.38 0.51 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.534 1.134 . . . . 0.0 109.291 174.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -161.89 175.12 12.21 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 120.62 -1.3 . . . . 0.0 110.942 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 t -112.33 110.29 20.43 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 111.969 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -87.6 149.23 24.45 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.44 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.3 m -135.97 161.29 36.06 Favored 'General case' 0 N--CA 1.423 -1.802 0 C-N-CA 126.353 1.861 . . . . 0.0 108.416 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 70.7 m-85 -128.05 132.01 49.09 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 126.268 1.827 . . . . 0.0 108.435 170.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.28 42.14 10.91 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.857 1.217 . . . . 0.0 111.835 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.68 ' H ' HD12 ' A' ' 47' ' ' LEU . 2.8 mp -67.41 78.98 0.16 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.087 1.444 . . . . 0.0 108.616 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.85 -48.87 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.49 1.116 . . . . 0.0 109.253 -176.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.405 ' OD2' ' NZ ' ' A' ' 51' ' ' LYS . 9.1 t0 -64.4 -62.12 1.8 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 113.689 -1.596 . . . . 0.0 111.07 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' OD1' HG13 ' A' ' 53' ' ' VAL . 38.0 t0 39.12 88.25 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.671 2.389 . . . . 0.0 112.792 -176.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' A' ' 49' ' ' ASP . 1.8 mptp? -58.04 -52.89 63.64 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 112.476 -2.147 . . . . 0.0 109.885 173.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -179.1 70.07 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.454 1.101 . . . . 0.0 109.741 -173.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.67 HG11 HD22 ' A' ' 47' ' ' LEU . 19.9 m -59.59 151.02 5.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 119.023 -1.071 . . . . 0.0 112.391 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.12 170.76 13.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.786 1.279 . . . . 0.0 111.975 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -109.66 121.87 46.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.687 2.395 . . . . 0.0 105.421 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.503 HG22 ' CD2' ' A' ' 5' ' ' TYR . 16.9 pt -122.21 145.66 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -158.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 146.29 26.29 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 122.984 0.513 . . . . 0.0 109.833 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -56.07 -56.77 16.84 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.03 -35.76 26.15 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.148 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -40.91 64.22 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.908 0.777 . . . . 0.0 109.896 177.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -57.73 11.07 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 119.078 0.854 . . . . 0.0 109.0 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -55.81 -45.27 78.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.267 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -59.07 -45.27 91.23 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 122.31 -0.244 . . . . 0.0 110.596 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.2 m -111.41 42.09 1.75 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.923 1.289 . . . . 0.0 112.821 -168.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -117.43 -69.33 0.86 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 119.257 0.935 . . . . 0.0 110.437 165.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.42 -19.94 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.415 1.486 . . . . 0.0 112.998 -170.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -29.79 -61.97 0.14 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 128.723 2.809 . . . . 0.0 114.073 -176.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.0 mm -68.26 -30.17 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 122.786 0.435 . . . . 0.0 111.43 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 175.399 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.417 ' HD2' HG11 ' A' ' 53' ' ' VAL . 13.2 ptpt . . . . . 0 C--O 1.225 -0.217 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 26.1 m-20 -125.32 149.15 48.35 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 104.829 -2.285 . . . . 0.0 104.829 159.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.36 171.16 44.15 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 119.441 1.019 . . . . 0.0 111.901 -169.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -82.91 123.56 29.52 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 122.948 0.499 . . . . 0.0 110.345 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.33 141.29 28.88 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.497 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 5.8 m -121.69 160.13 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 C-N-CA 123.572 0.749 . . . . 0.0 110.413 168.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -170.85 0.11 Allowed 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.246 1.418 . . . . 0.0 113.858 -167.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -76.8 48.93 0.6 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 113.236 -1.802 . . . . 0.0 108.97 159.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 m -170.89 -38.18 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 127.112 2.165 . . . . 0.0 110.011 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.497 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 108.08 2.39 33.88 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 124.509 1.052 . . . . 0.0 112.069 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -67.75 149.36 50.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.792 1.296 . . . . 0.0 107.923 165.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.86 -177.01 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 162.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.7 m -118.92 144.18 46.58 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 149.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -75.05 0.13 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.96 1.704 . . . . 0.0 107.074 175.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.28 12.6 p 66.77 154.31 0.09 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 128.987 2.915 . . . . 0.0 113.863 -176.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -109.64 -51.27 2.89 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.797 1.239 . . . . 0.0 108.48 174.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.12 106.47 17.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.322 0.649 . . . . 0.0 109.975 -177.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -35.18 -43.68 0.23 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.478 1.511 . . . . 0.0 113.365 170.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -48.88 -45.27 40.85 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.807 1.243 . . . . 0.0 111.75 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.44 -53.78 49.53 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 176.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -56.69 -49.99 73.47 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.523 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -61.68 -51.34 68.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.41 -177.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -50.9 -53.89 28.73 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.424 0.689 . . . . 0.0 111.796 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -58.28 -47.49 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-O 121.548 0.689 . . . . 0.0 109.659 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -39.34 78.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.3 -166.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 t -67.05 -42.69 84.34 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 170.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -54.87 -46.3 74.71 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 121.741 -0.599 . . . . 0.0 111.667 -176.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.3 t -105.57 -42.32 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 124.211 1.004 . . . . 0.0 111.71 -167.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -110.85 3.7 19.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.025 1.33 . . . . 0.0 111.662 -170.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.269 33.3 m-85 55.85 27.98 11.75 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 125.07 1.348 . . . . 0.0 113.976 176.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.58 148.69 23.33 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 122.881 0.472 . . . . 0.0 111.192 168.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.2 t -100.06 -11.29 20.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.745 1.618 . . . . 0.0 112.168 170.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -157.19 -167.29 2.28 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.553 1.07 . . . . 0.0 109.026 168.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.39 -175.82 27.49 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 108.134 -1.986 . . . . 0.0 108.134 -170.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 169.14 174.2 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 125.374 1.469 . . . . 0.0 108.835 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.3 m -78.2 87.3 4.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -74.34 161.92 29.39 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -7.12 -62.53 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 130.171 3.389 . . . . 0.0 114.976 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.0 mt -131.18 1.2 4.2 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.116 1.366 . . . . 0.0 112.813 -174.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -159.88 151.08 19.5 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 120.992 -1.068 . . . . 0.0 112.826 -170.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 119.75 8.68 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.278 1.031 . . . . 0.0 112.547 169.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -99.16 156.31 17.02 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 126.169 1.788 . . . . 0.0 109.313 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.3 m -140.1 159.83 41.31 Favored 'General case' 0 N--CA 1.416 -2.14 0 C-N-CA 124.877 1.271 . . . . 0.0 108.407 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -129.05 133.02 47.54 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.549 1.94 . . . . 0.0 106.339 171.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.82 37.11 13.88 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.06 1.314 . . . . 0.0 113.009 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 47' ' ' LEU . 2.7 mp -66.54 107.89 2.23 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 118.616 1.208 . . . . 0.0 108.831 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -1.56 -85.24 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 128.289 2.635 . . . . 0.0 112.025 171.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -127.9 -174.83 3.3 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.02 1.328 . . . . 0.0 109.296 156.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -82.19 63.57 6.45 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 124.171 1.938 . . . . 0.0 108.979 171.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -35.75 65.3 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 112.89 -1.959 . . . . 0.0 110.517 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 173.42 73.97 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.966 2.106 . . . . 0.0 108.418 163.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.417 HG11 ' HD2' ' A' ' 2' ' ' LYS . 7.1 m -73.09 166.18 2.75 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 C-N-CA 118.396 -1.322 . . . . 0.0 110.889 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.5 mp -95.4 166.67 11.76 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 124.056 1.884 . . . . 0.0 113.035 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -85.01 73.38 10.69 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 111.714 -2.494 . . . . 0.0 110.418 -166.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 56' ' ' ILE . 2.2 pt -49.24 132.72 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.571 168.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 151.13 35.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 176.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.5 -52.58 64.82 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 122.498 1.142 . . . . 0.0 110.196 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.19 -39.18 55.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.131 174.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -39.27 73.36 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 118.763 0.71 . . . . 0.0 109.282 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.44 -60.32 3.46 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 174.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 t -53.82 -45.11 70.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.055 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -60.3 -43.98 95.8 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.023 0.529 . . . . 0.0 111.32 176.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.8 m -117.34 29.05 8.11 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.214 1.406 . . . . 0.0 113.691 -165.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -117.67 -67.69 0.97 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 120.758 1.617 . . . . 0.0 110.646 172.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.2 t -52.75 -30.61 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.551 1.141 . . . . 0.0 112.563 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -23.29 -62.01 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 129.253 3.021 . . . . 0.0 114.436 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mm -68.96 -25.17 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 122.683 0.393 . . . . 0.0 111.559 -170.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.8 mt . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.068 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? . . . . . 0 N--CA 1.466 0.337 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 59.45 111.51 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 127.643 2.377 . . . . 0.0 107.688 -161.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.485 ' H ' ' HG ' ' A' ' 47' ' ' LEU . . . -135.79 -166.01 10.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 126.638 2.066 . . . . 0.0 108.467 -163.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.541 ' CE2' HG23 ' A' ' 56' ' ' ILE . 47.1 m-85 -119.12 136.82 53.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.023 168.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.22 141.61 39.72 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 123.708 0.63 . . . . 0.0 112.001 -171.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.5 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 12.2 m -138.9 161.04 29.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 125.243 1.417 . . . . 0.0 108.666 171.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -71.01 179.47 2.74 Favored 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 124.284 1.033 . . . . 0.0 109.45 167.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.52 63.84 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.296 1.838 . . . . 0.0 108.282 157.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.48 -31.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.221 1.808 . . . . 0.0 111.115 -167.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.5 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 67.91 49.2 49.96 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 119.388 0.995 . . . . 0.0 112.361 167.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -126.98 103.68 7.6 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.441 1.096 . . . . 0.0 108.376 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.59 162.75 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.111 0.481 . . . . 0.0 110.33 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 m -90.56 134.06 34.64 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 153.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -111.8 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 164.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 89.49 149.1 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 127.952 2.501 . . . . 0.0 113.363 172.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -96.42 -34.83 11.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.642 1.177 . . . . 0.0 111.523 171.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.23 66.92 5.89 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.132 -0.98 . . . . 0.0 111.228 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -3.97 -67.98 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 129.58 3.152 . . . . 0.0 116.058 174.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -57.32 -25.79 59.89 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 125.294 1.438 . . . . 0.0 112.45 -169.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -49.26 -48.72 45.61 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.205 0.457 . . . . 0.0 111.048 171.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -46.77 77.05 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.484 -173.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -44.65 -58.82 2.81 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.146 0.978 . . . . 0.0 110.906 169.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -49.73 -55.62 13.25 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.108 0.963 . . . . 0.0 111.5 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.9 mm -56.16 -43.08 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.015 0.526 . . . . 0.0 110.033 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.318 0.5 OUTLIER -66.87 -36.33 82.06 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -170.003 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.71 -49.86 42.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.927 168.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.98 -50.62 70.33 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.307 1.043 . . . . 0.0 111.23 -170.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.9 t -94.08 -59.45 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 C-N-CA 125.489 1.516 . . . . 0.0 109.504 -172.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -88.59 -32.05 18.3 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 123.71 0.804 . . . . 0.0 112.466 -163.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.347 70.3 m-85 76.35 31.46 0.62 Allowed 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 126.817 2.047 . . . . 0.0 113.302 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.98 163.61 0.48 Allowed 'General case' 0 CA--C 1.54 0.59 0 O-C-N 122.134 -0.353 . . . . 0.0 111.295 144.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 p -86.09 -84.99 0.16 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.023 0.929 . . . . 0.0 108.729 170.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -89.99 -159.27 0.58 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.059 1.343 . . . . 0.0 109.619 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.41 -179.95 20.49 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 -172.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 p90 173.83 168.57 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 C-N-CA 125.385 1.474 . . . . 0.0 108.845 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.6 m -76.25 99.73 4.85 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 38.7 t -95.48 160.36 14.55 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.114 0.966 . . . . 0.0 109.599 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -15.98 -41.34 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.347 1 C-N-CA 132.119 4.168 . . . . 0.0 117.431 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.75 13.61 0.82 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 171.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 m -161.49 171.63 17.82 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 119.259 0.936 . . . . 0.0 110.911 -175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 t -95.03 104.69 16.57 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.32 1.048 . . . . 0.0 111.316 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -81.99 156.69 24.55 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 113.4 -1.727 . . . . 0.0 110.294 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.897 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.295 89.2 m -161.66 125.39 3.23 Favored 'General case' 0 N--CA 1.407 -2.62 0 O-C-N 126.277 2.236 . . . . 0.0 105.242 -159.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -94.42 161.49 14.21 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 176.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.89 26.58 67.34 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.268 -0.74 . . . . 0.0 112.621 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.897 HD21 ' HB3' ' A' ' 44' ' ' CYS . 1.1 mt -66.03 113.48 4.49 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.237 1.518 . . . . 0.0 107.007 166.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -121.53 -64.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -165.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -53.34 153.72 3.77 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.751 147.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -125.69 93.53 3.87 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 124.471 2.081 . . . . 0.0 107.527 -172.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.41 52.59 0.49 Allowed 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.209 -2.268 . . . . 0.0 109.534 177.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 41.12 56.64 2.99 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 125.535 1.534 . . . . 0.0 109.589 -169.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.34 143.74 14.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.66 0.743 . . . . 0.0 110.818 -157.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 5' ' ' TYR . 3.9 mp -72.33 173.47 8.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.526 1.631 . . . . 0.0 113.61 -167.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -82.44 69.98 9.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 112.821 -1.991 . . . . 0.0 109.967 -164.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -57.08 138.54 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 157.459 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -101.7 151.03 22.51 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 169.633 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.8 -61.16 2.43 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 125.35 1.46 . . . . 0.0 109.91 -171.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.62 -38.95 64.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.828 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -33.62 72.32 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 118.983 0.81 . . . . 0.0 109.432 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -70.65 -50.93 31.57 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 103.776 -2.676 . . . . 0.0 103.776 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.1 m -48.61 -57.59 6.0 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 117.879 0.309 . . . . 0.0 111.572 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.93 -42.38 48.29 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.887 1.275 . . . . 0.0 110.839 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.3 m -108.59 51.3 0.75 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.402 1.481 . . . . 0.0 110.971 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -139.93 -51.59 0.5 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.314 1.415 . . . . 0.0 110.977 162.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.39 -35.25 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.807 1.243 . . . . 0.0 111.597 176.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -26.03 -67.25 0.05 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 129.453 3.101 . . . . 0.0 113.46 173.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.2 mm -85.4 -37.38 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 CA--C 1.532 0.254 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 171.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.424 ' HA ' HD11 ' A' ' 47' ' ' LEU . 13.3 m-20 -134.15 136.76 44.03 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 165.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.66 178.04 44.92 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -169.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.852 ' CD2' HG22 ' A' ' 56' ' ' ILE . 14.3 m-30 -82.35 104.8 12.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 124.117 0.539 . . . . 0.0 110.146 173.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.23 150.79 33.39 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 m -130.48 163.17 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 165.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.36 -163.8 0.99 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.797 1.284 . . . . 0.0 110.738 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -65.29 19.48 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 130.054 3.342 . . . . 0.0 113.084 169.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.6 t -151.21 -31.31 0.17 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.61 53.68 33.63 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 119.351 0.978 . . . . 0.0 112.635 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -103.88 157.14 17.29 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 147.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -109.32 136.23 45.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 123.443 0.697 . . . . 0.0 110.836 -171.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -86.18 93.23 8.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.08 -78.35 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.052 1.741 . . . . 0.0 110.001 169.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.261 19.5 p 59.23 176.47 0.08 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 127.869 2.468 . . . . 0.0 114.083 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -125.38 -53.14 1.6 Allowed 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.0 1.32 . . . . 0.0 109.423 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.62 80.14 7.13 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.42 -0.8 . . . . 0.0 110.316 -171.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -16.31 -55.42 0.01 OUTLIER 'General case' 0 C--O 1.233 0.185 0 C-N-CA 129.711 3.204 . . . . 0.0 115.682 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -37.07 -51.62 0.96 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.337 1.055 . . . . 0.0 111.658 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -46.0 -54.49 8.29 Favored 'General case' 0 C--O 1.23 0.068 0 C-N-CA 124.896 1.279 . . . . 0.0 111.676 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -45.71 80.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -174.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -40.89 62.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.569 0.348 . . . . 0.0 111.041 171.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.05 -53.69 51.99 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 123.927 0.891 . . . . 0.0 109.99 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -59.33 -45.92 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 121.27 0.557 . . . . 0.0 109.965 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 23.1 m -49.29 -53.94 19.41 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.033 1.733 . . . . 0.0 110.973 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 t -73.6 -41.74 62.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.611 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -56.62 -49.14 75.85 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.769 0.827 . . . . 0.0 111.954 -171.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.81 -54.75 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.365 0 C-N-CA 125.624 1.57 . . . . 0.0 109.349 -169.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -84.51 -19.11 33.78 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 57.95 52.5 7.78 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.168 1.387 . . . . 0.0 111.729 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -94.5 136.26 35.0 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.19 1.396 . . . . 0.0 108.479 151.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -69.55 -22.89 63.51 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.524 1.13 . . . . 0.0 112.185 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 m -149.61 -171.51 3.91 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.28 176.45 25.78 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 107.697 -2.161 . . . . 0.0 107.697 -169.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.89 172.96 1.6 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.174 0.589 . . . . 0.0 111.014 -177.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.4 m -79.66 83.2 5.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 126.425 1.89 . . . . 0.0 107.378 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -73.2 158.78 34.57 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.616 -0.678 . . . . 0.0 109.206 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.406 HD12 HG22 ' A' ' 60' ' ' THR . 77.0 mt -21.46 -44.36 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 130.237 3.415 . . . . 0.0 116.288 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.54 33.17 0.5 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.937 0.79 . . . . 0.0 112.438 168.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -166.81 -179.78 4.93 Favored 'General case' 0 C--N 1.339 0.13 0 O-C-N 121.282 -0.886 . . . . 0.0 110.64 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.1 t -107.69 104.28 13.76 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.536 1.134 . . . . 0.0 110.781 -171.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.99 146.86 39.23 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 113.718 -1.583 . . . . 0.0 108.589 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.42 ' HB3' ' CB ' ' A' ' 32' ' ' ALA . 53.7 m -140.49 142.92 35.25 Favored 'General case' 0 N--CA 1.422 -1.843 0 O-C-N 125.763 1.914 . . . . 0.0 106.963 176.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -115.82 119.61 36.57 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 127.321 2.248 . . . . 0.0 108.928 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.473 ' N ' HD12 ' A' ' 47' ' ' LEU . . . 103.67 -6.94 49.29 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 117.383 -1.787 . . . . 0.0 114.716 171.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -11.35 87.04 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.345 3.058 . . . . 0.0 112.446 170.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -19.79 -84.41 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 129.294 3.038 . . . . 0.0 112.149 174.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.421 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 28.2 t70 -77.83 153.47 32.72 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 141.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.55 -38.21 71.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.899 2.48 . . . . 0.0 112.835 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 55.6 53.51 9.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 127.026 2.13 . . . . 0.0 110.457 -167.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 38.86 64.51 0.77 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 126.948 2.099 . . . . 0.0 111.456 172.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 m -56.64 144.04 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-O 122.073 0.939 . . . . 0.0 111.691 -169.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.96 168.0 8.84 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 123.71 1.719 . . . . 0.0 111.952 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -80.21 71.28 6.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 112.458 -2.156 . . . . 0.0 107.421 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.852 HG22 ' CD2' ' A' ' 5' ' ' TYR . 38.5 pt -66.52 135.41 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -172.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -77.94 149.89 34.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.34 -60.63 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.257 1.027 . . . . 0.0 110.446 -171.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.52 -43.3 55.88 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.054 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.406 HG22 HD12 ' A' ' 39' ' ' LEU . 32.1 p -68.99 -36.55 77.98 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 118.234 -0.888 . . . . 0.0 112.315 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -60.24 -51.0 71.42 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t -53.47 -53.45 51.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.367 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -54.43 -42.67 70.8 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.532 0.733 . . . . 0.0 111.328 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.7 m -110.75 35.34 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.197 1.399 . . . . 0.0 112.735 -169.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -136.29 -51.88 0.71 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.499 1.499 . . . . 0.0 110.973 173.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.9 t -55.59 -29.96 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.244 1.017 . . . . 0.0 111.683 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -27.69 -71.08 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 129.53 3.132 . . . . 0.0 113.074 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.6 mt -87.49 -39.62 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 123.721 0.808 . . . . 0.0 108.929 -175.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 170.381 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.174 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.505 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 47.4 p-10 -121.76 145.0 48.47 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 119.745 1.157 . . . . 0.0 108.533 164.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.69 167.9 38.57 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -158.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -78.86 100.3 7.13 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.472 0.709 . . . . 0.0 109.389 171.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.9 134.25 45.92 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.461 -175.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.2 m -138.06 159.2 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 163.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.6 -160.38 0.79 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 124.656 1.223 . . . . 0.0 111.383 -177.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -69.72 43.08 0.05 Allowed 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.067 -1.424 . . . . 0.0 111.4 160.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -142.64 -57.58 0.44 Allowed 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.009 -1.057 . . . . 0.0 110.384 166.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.83 34.49 53.04 Favored Glycine 0 C--N 1.334 0.432 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 165.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 18.9 tttp -86.13 149.11 25.35 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 138.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.6 m -61.93 131.36 27.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-O 121.019 0.438 . . . . 0.0 110.958 168.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.2 m -78.15 68.03 4.09 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.711 1.205 . . . . 0.0 108.383 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 3.8 tt0 -46.97 -75.46 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.018 2.527 . . . . 0.0 112.889 -157.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 60.77 166.42 0.08 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.935 1.694 . . . . 0.0 115.062 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.08 -43.33 3.1 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.575 1.55 . . . . 0.0 110.945 166.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.22 80.34 4.64 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.813 -1.18 . . . . 0.0 111.229 -174.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -19.91 -47.93 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.328 3.051 . . . . 0.0 116.357 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -43.36 -46.84 6.67 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.078 0.951 . . . . 0.0 111.964 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -47.43 -55.06 9.73 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.116 0.966 . . . . 0.0 110.488 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -56.14 -52.69 63.44 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -176.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -54.75 -57.24 12.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.153 0.581 . . . . 0.0 109.648 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -48.93 -56.88 7.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.996 1.318 . . . . 0.0 112.348 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.55 -44.63 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.677 0.791 . . . . 0.0 109.618 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -41.54 75.14 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.693 -169.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 t -64.98 -40.62 95.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.607 170.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -58.77 -45.53 89.58 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.587 -0.695 . . . . 0.0 111.444 -175.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.9 t -103.59 -54.42 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 124.605 1.162 . . . . 0.0 110.764 -172.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -89.92 -20.01 23.86 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.449 1.1 . . . . 0.0 111.829 -167.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.318 96.5 m-85 67.76 30.6 6.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.691 1.996 . . . . 0.0 112.285 -174.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.21 133.22 35.99 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 168.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 t -73.23 -30.8 63.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.999 0.92 . . . . 0.0 111.107 -173.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 t -144.11 -163.45 1.68 Allowed 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.015 -0.428 . . . . 0.0 109.868 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.5 -172.18 29.54 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 107.751 -2.14 . . . . 0.0 107.751 -165.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 173.59 165.87 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.518 1.127 . . . . 0.0 108.838 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.6 m -88.67 83.03 6.75 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.2 t -59.2 160.86 5.92 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.692 1.597 . . . . 0.0 109.245 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -7.0 -58.46 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.698 3.199 . . . . 0.0 115.839 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.62 44.1 0.59 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.66 167.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -160.29 169.35 23.36 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 120.93 -1.106 . . . . 0.0 110.01 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.03 105.9 14.42 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.687 0.756 . . . . 0.0 109.989 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.67 154.86 24.67 Favored 'General case' 0 CA--C 1.498 -1.023 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.317 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 92.9 m -142.25 159.94 41.23 Favored 'General case' 0 N--CA 1.419 -1.988 0 C-N-CA 124.862 1.265 . . . . 0.0 108.454 172.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -127.34 106.8 9.46 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 126.307 1.843 . . . . 0.0 109.232 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.81 43.66 1.29 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.498 1.999 . . . . 0.0 111.78 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.607 ' H ' HD12 ' A' ' 47' ' ' LEU . 3.5 mp -73.38 72.25 1.31 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 118.941 1.37 . . . . 0.0 109.248 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.03 -50.83 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.083 0.944 . . . . 0.0 109.316 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -45.78 -64.32 0.76 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.326 2.65 . . . . 0.0 113.229 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' OD1' HG13 ' A' ' 53' ' ' VAL . 60.3 t0 20.21 78.38 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 127.944 2.497 . . . . 0.0 113.431 -175.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -57.32 -50.02 74.27 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 111.698 -2.501 . . . . 0.0 109.675 172.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -176.67 65.26 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.105 0.962 . . . . 0.0 110.593 -172.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 47' ' ' LEU . 12.4 m -52.3 145.74 2.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.567 0.698 . . . . 0.0 111.848 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.7 162.88 25.15 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 123.823 1.773 . . . . 0.0 110.779 175.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -96.78 83.73 3.48 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 111.538 -2.574 . . . . 0.0 105.397 -164.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.28 143.21 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.815 -174.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.578 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -81.09 136.09 35.89 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 170.72 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -71.72 -49.39 39.74 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.592 -158.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.57 14.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.756 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.2 p -73.25 -25.35 60.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 117.174 -1.393 . . . . 0.0 112.328 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -50.36 73.85 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 121.139 1.791 . . . . 0.0 107.902 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 t -53.72 -53.32 53.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.202 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -55.1 -46.15 75.52 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.748 0.308 . . . . 0.0 111.36 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 89.7 m -107.17 39.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.183 1.393 . . . . 0.0 112.661 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -128.84 -61.96 1.03 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.829 1.195 . . . . 0.0 111.911 171.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.1 t -56.49 -27.04 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.257 1.023 . . . . 0.0 111.864 -175.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -18.3 -63.69 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 130.249 3.42 . . . . 0.0 114.47 175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.75 -29.52 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 122.719 0.407 . . . . 0.0 111.463 -170.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.416 ' O ' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.59 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -46.5 140.92 3.96 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 122.047 0.927 . . . . 0.0 112.628 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.84 168.09 40.21 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -165.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.599 ' CG ' HG22 ' A' ' 56' ' ' ILE . 1.2 m-30 -81.4 116.66 21.33 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -74.82 142.23 44.22 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 175.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 18.0 m -145.67 170.07 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 125.054 1.342 . . . . 0.0 107.899 173.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -35.5 -75.04 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.065 2.146 . . . . 0.0 112.379 168.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t 168.46 -48.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 131.152 3.781 . . . . 0.0 104.985 -164.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 t -73.34 -45.23 56.41 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.108 0.963 . . . . 0.0 109.642 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.468 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 135.77 38.65 0.17 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.202 1.382 . . . . 0.0 113.538 173.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -75.87 78.05 2.78 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.803 -0.822 . . . . 0.0 108.866 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 m -58.01 141.35 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 122.661 0.384 . . . . 0.0 110.95 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.6 m -100.57 136.54 40.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 166.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -126.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 162.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 102.36 159.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 130.008 3.323 . . . . 0.0 112.696 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.7 -42.69 5.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.944 1.298 . . . . 0.0 110.688 169.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.23 76.11 3.03 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.006 -1.059 . . . . 0.0 111.032 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -33.2 -39.28 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 127.872 2.469 . . . . 0.0 114.281 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -39.26 -49.89 1.94 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.755 1.622 . . . . 0.0 112.139 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.58 -53.62 44.15 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.733 0.813 . . . . 0.0 109.854 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.7 t -57.65 -53.77 54.47 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -49.89 -53.85 23.32 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.301 1.44 . . . . 0.0 110.814 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.77 -53.93 50.6 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.967 0.507 . . . . 0.0 112.073 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -58.56 -44.26 88.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.436 0.636 . . . . 0.0 110.052 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.0 m -53.47 -48.44 68.86 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 127.0 2.12 . . . . 0.0 110.272 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.3 p -68.45 -52.88 27.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.037 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -55.82 -53.22 59.34 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.126 1.37 . . . . 0.0 111.651 -164.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.1 t -89.69 -45.55 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.178 0 C-N-CA 124.455 1.102 . . . . 0.0 109.688 -170.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -103.52 -18.43 14.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -165.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.282 8.0 m-85 77.92 20.1 1.04 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.555 1.542 . . . . 0.0 114.21 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 165.76 0.65 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 162.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -99.06 -25.5 14.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.931 1.292 . . . . 0.0 110.874 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 p -157.35 -170.17 3.15 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.322 -0.861 . . . . 0.0 109.562 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.75 167.95 19.45 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 107.228 -2.349 . . . . 0.0 107.228 -171.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -173.54 162.27 4.17 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.091 0.956 . . . . 0.0 109.041 -172.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -88.81 91.83 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.6 m -73.47 179.41 4.05 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -12.02 -60.2 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 130.521 3.529 . . . . 0.0 114.25 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.69 41.41 0.53 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.151 0.58 . . . . 0.0 109.859 168.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -169.64 138.41 1.88 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.56 -0.712 . . . . 0.0 110.563 -162.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 115.86 28.28 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.333 1.053 . . . . 0.0 111.455 -169.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.89 153.97 27.31 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.932 0.893 . . . . 0.0 109.088 172.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 47' ' ' LEU . 57.8 m -134.1 158.05 44.59 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 163.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -118.55 104.44 10.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.124 1.77 . . . . 0.0 108.989 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.59 9.23 72.42 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.764 -0.464 . . . . 0.0 113.457 174.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -42.21 161.4 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.817 0.818 . . . . 0.0 112.241 154.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -56.29 161.9 2.31 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 123.66 1.695 . . . . 0.0 109.519 156.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -98.15 -39.0 9.1 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 129.648 3.179 . . . . 0.0 108.895 178.262 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -49.1 -30.81 6.99 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.81 2.044 . . . . 0.0 112.745 -176.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -85.68 57.04 4.24 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 30.52 59.7 0.22 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 128.455 2.702 . . . . 0.0 113.22 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.8 m -62.2 131.96 27.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.222 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.19 166.41 23.5 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.373 1.558 . . . . 0.0 111.708 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -92.28 103.75 16.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 112.032 -2.349 . . . . 0.0 106.627 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.599 HG22 ' CG ' ' A' ' 5' ' ' TYR . 23.4 pt -79.6 150.26 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -174.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' HE3' ' H ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -81.63 156.77 24.96 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 108.066 -1.086 . . . . 0.0 108.066 -173.027 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -57.23 -63.38 1.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.808 0.843 . . . . 0.0 110.26 -177.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.16 -40.74 24.8 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.768 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.8 p -72.69 -35.85 67.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 118.162 -0.923 . . . . 0.0 112.469 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -56.47 -53.86 52.48 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 120.575 1.534 . . . . 0.0 109.767 167.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -58.35 -40.85 83.32 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.571 -0.705 . . . . 0.0 112.327 -176.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.27 -51.47 68.04 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.584 0.707 . . . . 0.0 110.113 167.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.72 34.23 5.25 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.346 1.059 . . . . 0.0 113.392 -154.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -123.72 -59.96 1.49 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.73 1.212 . . . . 0.0 109.54 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -49.35 -33.56 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 126.032 1.733 . . . . 0.0 112.094 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -18.25 -69.31 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 129.556 3.142 . . . . 0.0 112.798 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.1 mt -101.78 -38.8 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 125.536 1.535 . . . . 0.0 108.54 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 171.734 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.482 ' HD2' HG21 ' A' ' 53' ' ' VAL . 8.5 ptpp? . . . . . 0 C--O 1.227 -0.097 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.571 ' HA ' HD13 ' A' ' 47' ' ' LEU . 24.7 p-10 -114.75 150.12 35.85 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 126.659 1.984 . . . . 0.0 106.422 147.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 166.47 36.89 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -163.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.483 ' CD2' HG22 ' A' ' 56' ' ' ILE . 3.3 m-30 -74.92 108.27 7.54 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 165.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.57 144.37 27.94 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.81 160.21 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -90.84 -149.5 0.22 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 168.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -74.45 -4.01 34.11 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.335 1.054 . . . . 0.0 111.545 168.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 p -80.02 -58.78 2.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.384 1.474 . . . . 0.0 109.87 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.05 36.92 69.14 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 125.609 1.576 . . . . 0.0 112.792 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -108.46 107.53 18.11 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 159.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.75 136.64 25.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.07 0.462 . . . . 0.0 110.93 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.6 m -72.99 84.43 1.26 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 171.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -42.78 -71.7 0.08 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.551 1.54 . . . . 0.0 110.882 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.32 145.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.184 2.193 . . . . 0.0 116.351 168.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 pp -97.02 -42.38 7.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.552 1.141 . . . . 0.0 111.742 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.09 70.56 9.04 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 120.862 -1.149 . . . . 0.0 111.19 -171.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -10.96 -61.6 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.78 2.832 . . . . 0.0 116.456 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -43.12 -41.02 3.47 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.658 1.583 . . . . 0.0 112.715 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -39.23 -53.92 1.85 Allowed 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.096 0.958 . . . . 0.0 111.196 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 m -66.81 -52.56 42.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -169.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -43.32 -57.15 3.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.221 1.008 . . . . 0.0 111.678 170.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -54.98 -56.21 22.21 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 124.891 1.276 . . . . 0.0 111.365 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 mm -53.29 -45.46 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.791 0.837 . . . . 0.0 109.282 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -42.03 86.62 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -170.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 t -71.55 -30.34 65.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.937 -0.554 . . . . 0.0 111.026 171.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.43 -49.12 65.09 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.044 0.838 . . . . 0.0 110.671 -175.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.67 -55.24 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 C-N-CA 125.312 1.445 . . . . 0.0 110.404 -168.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -95.0 -19.96 19.75 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.109 0.963 . . . . 0.0 112.44 -169.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.263 39.2 m-85 74.28 33.88 0.86 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.048 1.739 . . . . 0.0 112.797 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.36 132.97 43.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 164.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -69.45 -25.58 64.17 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.349 1.06 . . . . 0.0 111.243 -177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -148.58 -162.17 1.5 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.515 -0.741 . . . . 0.0 110.692 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.58 -178.85 21.44 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 125.942 1.734 . . . . 0.0 109.143 -167.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 172.97 172.31 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 124.833 1.253 . . . . 0.0 108.294 178.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.7 m -81.34 89.7 6.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.05 167.34 12.06 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.592 1.157 . . . . 0.0 108.094 174.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -14.64 -58.32 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 128.7 2.8 . . . . 0.0 115.465 -172.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -150.78 38.54 0.68 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.724 0.81 . . . . 0.0 110.036 174.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.48 172.05 16.11 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.653 -1.279 . . . . 0.0 111.366 -176.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.59 105.35 15.18 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.936 0.874 . . . . 0.0 112.914 -170.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -90.74 154.49 19.5 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.265 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.412 ' C ' HD11 ' A' ' 47' ' ' LEU . 81.6 m -141.36 161.66 37.36 Favored 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 125.911 1.684 . . . . 0.0 108.406 175.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -132.74 122.61 24.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.893 2.077 . . . . 0.0 107.095 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.39 36.92 4.72 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.666 1.603 . . . . 0.0 111.877 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 47' ' ' LEU . 2.1 mp -70.04 67.55 0.29 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.614 1.566 . . . . 0.0 108.127 175.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.08 -53.44 45.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.367 0.603 . . . . 0.0 109.374 -165.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.84 145.61 50.18 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.239 152.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.04 97.16 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.158 1.783 . . . . 0.0 108.812 -167.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 1.7 mppt? -61.03 -68.02 0.35 Allowed 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 126.792 2.037 . . . . 0.0 109.769 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 176.56 65.25 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.919 1.688 . . . . 0.0 106.649 -170.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.482 HG21 ' HD2' ' A' ' 2' ' ' LYS . 25.3 m -63.1 144.69 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.904 -173.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.5 165.42 25.14 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.224 1.488 . . . . 0.0 111.426 -173.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -91.06 86.15 6.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.287 -2.233 . . . . 0.0 108.275 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.483 HG22 ' CD2' ' A' ' 5' ' ' TYR . 28.7 pt -74.27 154.14 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.522 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 1.8 mppt? -75.82 154.25 36.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -35.63 81.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 122.64 1.21 . . . . 0.0 109.949 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.48 41.2 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.401 -1.272 . . . . 0.0 111.503 168.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -45.53 94.27 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.382 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -47.05 -59.17 3.31 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 119.5 1.045 . . . . 0.0 109.877 174.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -56.4 -52.01 66.2 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.985 0.421 . . . . 0.0 110.954 -177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -54.12 -40.95 67.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.204 1.002 . . . . 0.0 111.639 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.4 m -117.2 27.89 8.83 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 124.792 1.237 . . . . 0.0 112.14 -164.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -104.01 -67.28 0.9 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 119.918 1.236 . . . . 0.0 110.413 168.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.7 -22.62 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.403 1.081 . . . . 0.0 113.018 -169.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -30.31 -62.82 0.15 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 128.6 2.76 . . . . 0.0 114.185 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.5 mm -64.14 -31.89 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 122.965 0.506 . . . . 0.0 110.996 -174.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mm . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.594 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.562 ' HA ' HD13 ' A' ' 47' ' ' LEU . 29.7 p-10 -52.63 127.26 22.38 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 122.017 0.913 . . . . 0.0 112.274 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.5 175.23 45.43 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.607 -148.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -79.25 93.55 5.28 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.578 1.151 . . . . 0.0 109.726 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.66 142.74 38.66 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.397 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.417 ' CG1' ' HA2' ' A' ' 11' ' ' GLY . 21.4 m -137.3 136.61 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.403 ' OD1' ' NZ ' ' A' ' 12' ' ' LYS . 15.2 t70 18.44 -79.94 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.316 2.646 . . . . 0.0 114.056 141.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t 173.81 -41.16 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 131.293 3.837 . . . . 0.0 105.895 -167.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.1 p -109.87 -55.93 2.38 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.659 1.184 . . . . 0.0 110.605 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.417 ' HA2' ' CG1' ' A' ' 7' ' ' VAL . . . 134.68 62.65 0.07 OUTLIER Glycine 0 C--N 1.338 0.682 0 C-N-CA 125.216 1.389 . . . . 0.0 112.785 -174.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' NZ ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -75.06 66.32 1.59 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 160.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 m -65.72 141.68 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 122.709 0.404 . . . . 0.0 111.409 -172.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.5 m -98.23 133.3 42.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 168.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -120.11 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 162.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 106.17 147.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 130.604 3.562 . . . . 0.0 112.696 173.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -88.94 -40.64 12.91 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.098 0.959 . . . . 0.0 111.619 172.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 66.94 6.21 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.096 -1.003 . . . . 0.0 110.934 -175.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -17.08 -58.21 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 128.827 2.851 . . . . 0.0 115.746 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -33.87 -48.85 0.31 Allowed 'General case' 0 C--O 1.232 0.163 0 C-N-CA 126.994 2.118 . . . . 0.0 112.671 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -40.14 -51.93 2.6 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.771 1.228 . . . . 0.0 111.504 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.83 -44.53 73.28 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -169.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -49.97 65.63 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 171.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.41 -56.75 17.32 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 124.178 0.991 . . . . 0.0 110.461 -174.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 mm -55.59 -46.17 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 123.85 0.86 . . . . 0.0 109.303 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -38.44 91.0 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -171.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.2 t -73.39 -32.09 64.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 119.731 -0.787 . . . . 0.0 111.501 171.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -71.44 -41.42 69.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.248 0.931 . . . . 0.0 111.554 -172.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -108.13 -58.21 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 C-N-CA 126.216 1.807 . . . . 0.0 109.349 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -82.89 -28.47 29.97 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.828 0.851 . . . . 0.0 111.493 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.304 57.6 m-85 69.07 46.34 0.83 Allowed 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 127.182 2.193 . . . . 0.0 112.6 -173.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.9 136.96 34.59 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 162.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -79.15 -5.82 55.09 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -162.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -164.05 -173.59 3.24 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 127.056 2.142 . . . . 0.0 105.689 175.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.36 -178.44 31.17 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 107.259 -2.336 . . . . 0.0 107.259 -171.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 175.48 164.91 0.32 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.497 1.119 . . . . 0.0 108.955 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.0 m -77.06 87.91 3.56 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.0 t -69.69 159.76 32.88 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -6.41 -56.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 130.197 3.399 . . . . 0.0 115.507 175.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.45 38.57 0.55 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 173.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 t -169.77 -174.53 1.87 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 121.467 -0.771 . . . . 0.0 110.778 174.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -107.97 97.98 7.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 123.079 1.418 . . . . 0.0 111.541 -170.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.37 148.2 43.63 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 112.942 -1.935 . . . . 0.0 108.903 175.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.8 m -142.99 164.1 30.98 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 127.243 2.217 . . . . 0.0 106.17 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -127.09 124.31 38.91 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 124.999 1.32 . . . . 0.0 112.579 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.65 43.87 11.37 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.562 HD13 ' HA ' ' A' ' 3' ' ' ASN . 2.9 mp -61.11 138.02 58.22 Favored 'General case' 0 N--CA 1.428 -1.556 0 C-N-CA 127.769 2.427 . . . . 0.0 109.998 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -61.57 172.47 1.2 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.936 160.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -72.31 -53.87 11.14 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.81 -1.541 . . . . 0.0 108.439 -178.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -36.0 -34.82 0.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.389 2.676 . . . . 0.0 114.01 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 4.3 mmtt -78.38 -2.41 38.16 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.069 -1.02 . . . . 0.0 111.309 -171.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 53.22 60.68 3.59 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 125.981 1.713 . . . . 0.0 111.558 164.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.22 125.45 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.426 -168.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.77 168.03 8.45 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 123.205 1.479 . . . . 0.0 112.117 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -87.02 129.54 34.85 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 112.424 -2.171 . . . . 0.0 107.976 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 pt -131.32 141.92 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 123.064 0.546 . . . . 0.0 112.035 -166.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 143.65 49.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.265 1.026 . . . . 0.0 108.924 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.38 -53.0 62.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.096 0.951 . . . . 0.0 110.383 -173.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.63 -36.43 15.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.971 173.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -40.05 85.66 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 117.435 -1.269 . . . . 0.0 109.075 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 pttm -56.68 -53.73 54.37 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 120.592 1.542 . . . . 0.0 109.512 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -53.49 -57.93 8.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.042 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -52.22 -37.94 56.54 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.923 0.889 . . . . 0.0 111.91 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.3 m -113.87 35.33 4.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.351 1.46 . . . . 0.0 112.161 -172.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.47 -55.87 0.96 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.396 0.998 . . . . 0.0 110.555 170.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.0 t -52.19 -31.81 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.04 1.336 . . . . 0.0 111.209 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -19.53 -66.42 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 128.355 2.662 . . . . 0.0 112.66 165.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -107.22 -33.65 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 C-N-CA 125.038 1.335 . . . . 0.0 108.753 -177.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.506 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 46.6 p-10 -126.34 145.24 50.52 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 124.777 1.231 . . . . 0.0 108.588 163.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.94 172.55 42.51 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -156.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -84.24 108.01 16.87 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.522 0.729 . . . . 0.0 110.192 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.31 137.87 33.21 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.523 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 27.6 m -142.3 152.14 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.612 0.765 . . . . 0.0 109.416 177.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -10.51 -75.86 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.795 2.838 . . . . 0.0 113.716 162.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t 172.58 -47.51 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 130.449 3.5 . . . . 0.0 105.109 -164.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p -86.07 -53.16 5.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.138 0.575 . . . . 0.0 109.978 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 148.88 34.62 0.05 OUTLIER Glycine 0 CA--C 1.533 1.169 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -76.19 87.73 3.05 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.223 1.512 . . . . 0.0 108.558 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.16 125.98 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.514 0.674 . . . . 0.0 110.728 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.6 m -82.24 62.35 5.91 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.788 0.835 . . . . 0.0 110.917 -174.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 179.72 0.96 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.143 0.429 . . . . 0.0 111.799 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 p 163.63 173.11 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 128.017 2.527 . . . . 0.0 111.129 -173.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -48.38 7.11 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.567 0.747 . . . . 0.0 111.185 162.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.95 73.55 3.54 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.995 -1.065 . . . . 0.0 111.601 -173.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -16.98 -52.72 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.895 2.878 . . . . 0.0 116.578 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -43.52 -39.67 3.52 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.945 1.298 . . . . 0.0 112.781 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.86 -52.9 17.41 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.418 0.687 . . . . 0.0 111.124 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -53.09 62.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -177.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -46.71 -57.23 5.04 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 124.71 1.204 . . . . 0.0 111.038 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -52.32 -56.41 15.03 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.326 1.45 . . . . 0.0 112.024 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.0 mm -55.49 -40.98 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -71.66 -42.78 67.09 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -168.145 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 t -59.97 -45.53 92.39 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 166.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -57.42 -41.85 81.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 117.972 0.351 . . . . 0.0 111.93 -172.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -104.22 -48.82 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 C-N-CA 124.461 1.105 . . . . 0.0 111.394 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -108.01 2.1 22.95 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.663 1.185 . . . . 0.0 112.263 -169.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 73.34 7.22 5.2 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.664 1.186 . . . . 0.0 112.91 176.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.05 127.91 34.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 119.035 0.834 . . . . 0.0 111.457 -174.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -77.23 -22.63 51.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.18 0.992 . . . . 0.0 112.032 -173.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -139.72 -177.31 4.9 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.57 171.88 14.76 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 107.965 -2.054 . . . . 0.0 107.965 -171.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -177.34 164.4 2.13 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.9 m -77.19 93.81 4.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.2 t -70.3 165.54 22.09 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.267 1.427 . . . . 0.0 109.265 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -11.04 -55.9 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 129.689 3.195 . . . . 0.0 115.481 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -152.76 38.55 0.53 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.667 0.787 . . . . 0.0 109.878 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.26 -169.49 1.82 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.906 -1.121 . . . . 0.0 111.593 -175.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.9 t -127.05 105.2 8.43 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.634 0.774 . . . . 0.0 112.812 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -82.66 153.59 25.32 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.612 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.5 m -147.05 154.13 40.82 Favored 'General case' 0 N--CA 1.42 -1.958 0 C-N-CA 125.849 1.66 . . . . 0.0 107.696 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -129.18 123.39 31.94 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.223 1.809 . . . . 0.0 109.157 176.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.42 41.82 8.22 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.199 1.38 . . . . 0.0 111.013 -177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.728 ' H ' HD12 ' A' ' 47' ' ' LEU . 3.5 mp -60.64 -179.38 0.12 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 118.199 0.999 . . . . 0.0 109.834 175.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -69.77 176.44 3.62 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 166.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -31.37 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 128.016 2.527 . . . . 0.0 110.895 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -165.26 116.42 1.12 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 145.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -57.63 -60.96 2.88 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 124.084 0.953 . . . . 0.0 108.973 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 167.05 56.88 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 128.364 2.665 . . . . 0.0 107.161 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.0 m -62.59 146.32 12.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 121.256 0.551 . . . . 0.0 110.472 -170.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -69.69 166.45 19.13 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 123.086 1.422 . . . . 0.0 109.525 169.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -131.16 133.57 45.7 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 112.419 -2.173 . . . . 0.0 107.257 -156.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 pt -129.63 141.48 46.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -147.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -59.73 158.85 9.57 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.787 1.635 . . . . 0.0 109.018 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.69 -42.73 67.06 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.877 1.671 . . . . 0.0 111.464 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.4 78.72 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.031 -0.418 . . . . 0.0 110.794 171.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -41.7 80.69 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -47.21 -60.44 2.48 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 125.495 1.518 . . . . 0.0 109.131 172.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.7 t -57.13 -52.89 63.47 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.181 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -53.76 -36.56 62.48 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.974 0.91 . . . . 0.0 112.256 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.7 m -121.91 37.83 4.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.531 1.133 . . . . 0.0 111.782 -170.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -128.59 -59.1 1.16 Allowed 'General case' 0 C--O 1.23 0.077 0 CA-C-N 119.237 0.926 . . . . 0.0 111.577 165.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.24 -30.76 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.256 1.022 . . . . 0.0 111.978 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -21.59 -68.54 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 129.926 3.291 . . . . 0.0 113.923 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.5 mm -85.59 -20.27 8.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.036 -171.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.682 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.343 0 CA-C-O 118.732 -0.651 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.524 ' HA ' HD13 ' A' ' 47' ' ' LEU . 12.1 p-10 -59.08 137.87 57.77 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 119.472 1.033 . . . . 0.0 109.704 166.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.1 169.46 40.78 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 -161.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -96.53 101.71 13.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.3 0.64 . . . . 0.0 109.328 -171.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.12 137.62 37.56 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 119.51 -0.281 . . . . 0.0 110.417 -169.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.486 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 29.7 m -104.53 147.21 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.004 0.522 . . . . 0.0 110.809 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 4.4 -78.82 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 128.152 2.581 . . . . 0.0 114.184 153.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t 175.81 -47.2 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 130.433 3.493 . . . . 0.0 104.742 -165.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -96.29 -54.6 3.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.65 1.18 . . . . 0.0 109.649 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.486 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 153.64 70.31 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 112.244 -0.342 . . . . 0.0 112.244 -165.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -140.71 148.03 40.12 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 103.897 -2.631 . . . . 0.0 103.897 168.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -131.53 151.41 35.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 CA-C-N 119.109 0.868 . . . . 0.0 109.273 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -79.68 119.89 23.24 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.12 -67.94 0.39 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 172.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p 57.94 175.07 0.06 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.838 2.455 . . . . 0.0 116.46 162.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.76 -47.54 1.53 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.823 1.649 . . . . 0.0 110.821 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.37 117.89 9.97 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.527 -0.733 . . . . 0.0 112.066 -172.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -64.56 -51.41 62.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.523 0.729 . . . . 0.0 111.066 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -52.08 -47.79 65.01 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.819 0.847 . . . . 0.0 110.692 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -48.32 -60.77 2.41 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.211 0.604 . . . . 0.0 110.188 175.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -47.37 86.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -173.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -49.51 -57.55 6.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.594 0.757 . . . . 0.0 112.074 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -52.81 -52.76 55.66 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.267 1.427 . . . . 0.0 111.45 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.2 mm -56.57 -43.97 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.262 0.5 OUTLIER -65.89 -41.91 90.92 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -172.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -66.78 -38.93 87.52 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.052 171.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -57.56 7.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 120.811 -1.181 . . . . 0.0 110.585 -174.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -88.36 -58.58 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 C-N-CA 125.28 1.432 . . . . 0.0 109.039 -167.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -87.4 -20.11 27.15 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.221 1.008 . . . . 0.0 112.368 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.287 92.8 m-85 64.04 49.43 2.74 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 126.143 1.777 . . . . 0.0 111.812 -176.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.62 152.75 22.32 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.617 1.167 . . . . 0.0 109.108 164.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 78.8 p -74.24 -30.4 62.13 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.347 -0.845 . . . . 0.0 110.914 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.0 -165.29 1.8 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.881 -0.58 . . . . 0.0 111.08 175.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.6 171.24 22.57 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 126.721 2.105 . . . . 0.0 108.427 -170.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -174.75 178.98 1.77 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 126.282 1.833 . . . . 0.0 107.127 173.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.8 m -76.93 91.22 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.041 0.937 . . . . 0.0 109.025 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -61.01 165.73 3.98 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.691 0.797 . . . . 0.0 110.004 168.595 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -22.61 -51.24 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.183 2.593 . . . . 0.0 114.56 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.45 44.83 0.71 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 168.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -162.84 172.45 15.15 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.084 -1.01 . . . . 0.0 110.525 -176.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.7 t -98.55 102.61 14.4 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 122.389 1.09 . . . . 0.0 110.249 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -71.87 154.87 40.97 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.205 171.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.53 ' C ' HD11 ' A' ' 47' ' ' LEU . 74.5 m -137.3 165.85 25.2 Favored 'General case' 0 N--CA 1.41 -2.426 0 O-C-N 125.105 1.503 . . . . 0.0 107.662 168.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -131.57 137.14 48.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.66 1.984 . . . . 0.0 107.426 174.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.88 43.08 75.84 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.787 0.708 . . . . 0.0 113.887 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.53 HD11 ' C ' ' A' ' 44' ' ' CYS . 0.4 OUTLIER -68.38 73.19 0.22 Allowed 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 128.495 2.718 . . . . 0.0 108.665 176.609 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -47.8 -67.2 0.3 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.489 0.661 . . . . 0.0 110.695 -172.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -71.95 149.37 45.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.578 158.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -138.73 105.8 5.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.897 2.079 . . . . 0.0 107.323 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -52.31 57.92 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 127.241 2.216 . . . . 0.0 108.553 -177.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 167.89 70.07 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 127.962 2.505 . . . . 0.0 107.91 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.61 155.03 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.174 176.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.35 170.63 1.69 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 123.068 1.413 . . . . 0.0 111.119 169.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -117.26 118.37 32.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 127.109 2.164 . . . . 0.0 105.754 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.7 pt -121.46 143.75 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 122.552 0.341 . . . . 0.0 111.248 -155.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.75 146.41 49.45 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.301 0.64 . . . . 0.0 110.304 -178.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.71 -51.74 68.29 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 122.231 1.015 . . . . 0.0 109.822 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.36 -36.54 43.56 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.853 -1.067 . . . . 0.0 112.528 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -41.95 64.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.792 0.724 . . . . 0.0 109.705 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -59.57 4.15 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.2 t -51.85 -52.96 45.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.699 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -50.64 -47.37 58.54 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.813 0.845 . . . . 0.0 110.913 175.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.0 m -84.57 -32.91 23.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 -166.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.71 -54.86 10.19 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.946 0.879 . . . . 0.0 110.058 -166.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.8 t -48.85 -37.17 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 126.102 1.761 . . . . 0.0 112.327 -177.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -36.62 -55.48 0.86 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 127.659 2.384 . . . . 0.0 112.462 -177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.7 mt -102.92 -41.72 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.339 0.117 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 175.727 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.28 -158.89 0.92 Allowed 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.56 ' HA ' HD11 ' A' ' 47' ' ' LEU . 18.3 p-10 -134.3 143.73 47.9 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.781 1.633 . . . . 0.0 108.206 168.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 169.25 41.28 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 111.519 -0.633 . . . . 0.0 111.519 -167.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -85.83 114.52 22.83 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 122.601 0.36 . . . . 0.0 110.374 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.02 112.6 20.34 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.227 0.611 . . . . 0.0 111.613 -169.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.419 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 35.4 m -115.71 137.75 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.629 1.572 . . . . 0.0 108.343 172.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -74.32 -60.19 2.38 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.34 0.656 . . . . 0.0 111.613 -158.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -141.99 -12.35 0.85 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -163.87 52.22 0.15 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.479 1.036 . . . . 0.0 109.644 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 77.41 -0.97 67.22 Favored Glycine 0 CA--C 1.527 0.803 0 O-C-N 121.664 -0.647 . . . . 0.0 114.053 168.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -73.28 115.66 12.89 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 166.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -55.57 155.23 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.506 0 C-N-CA 123.241 0.616 . . . . 0.0 111.051 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.9 t -70.2 52.18 0.13 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.394 1.078 . . . . 0.0 110.743 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 46.71 -120.65 1.07 Allowed 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.296 1.838 . . . . 0.0 111.241 173.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.33 1.3 p 111.96 66.54 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 129.503 3.121 . . . . 0.0 111.787 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.07 -34.09 71.56 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 120.751 -1.218 . . . . 0.0 109.279 163.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD12 ' H ' ' A' ' 21' ' ' TYR . 1.1 pp -152.82 153.21 32.65 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.394 0.678 . . . . 0.0 110.333 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -56.9 -48.71 77.56 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.181 0.992 . . . . 0.0 111.775 -171.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -54.01 -39.64 66.27 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-O 119.533 -0.27 . . . . 0.0 110.882 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.418 ' H ' HD12 ' A' ' 18' ' ' LEU . 48.2 t80 -63.84 -52.59 59.42 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.319 0.648 . . . . 0.0 109.491 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.3 t -47.58 -54.41 11.85 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.302 0.572 . . . . 0.0 109.558 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -54.51 36.69 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.022 0.929 . . . . 0.0 110.215 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -53.15 -57.46 10.39 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.126 0.971 . . . . 0.0 112.117 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.3 mm -52.41 -45.14 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 124.962 1.305 . . . . 0.0 109.22 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -37.92 83.88 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -175.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.4 p -63.54 -39.45 94.45 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.268 170.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -67.28 -41.31 85.69 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.868 0.867 . . . . 0.0 112.313 -172.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.98 -36.53 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 C-N-CA 124.725 1.21 . . . . 0.0 111.63 -164.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -104.28 -24.64 13.09 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.092 1.357 . . . . 0.0 111.145 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.306 26.6 m-85 74.34 31.43 1.06 Allowed 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.279 1.832 . . . . 0.0 112.533 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.41 160.53 0.16 Allowed 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.044 0.938 . . . . 0.0 113.259 155.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -87.99 -39.82 14.38 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.854 0.862 . . . . 0.0 108.985 157.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.9 t -155.27 -160.8 1.09 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-N 119.265 0.939 . . . . 0.0 112.416 174.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.95 171.28 22.86 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 108.518 -1.833 . . . . 0.0 108.518 -166.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -178.13 174.45 1.35 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.691 0.796 . . . . 0.0 109.028 -173.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 92.5 m -69.41 92.62 0.61 Allowed 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 169.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.63 163.0 28.21 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 162.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -16.21 -54.74 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 129.12 2.968 . . . . 0.0 115.544 -170.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.14 24.6 1.79 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 m -161.83 162.1 29.26 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.022 -1.049 . . . . 0.0 111.048 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 109.79 1.01 Allowed 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 162.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.11 155.87 36.62 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 156.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -140.43 147.17 39.26 Favored 'General case' 0 N--CA 1.414 -2.273 0 O-C-N 124.563 1.164 . . . . 0.0 109.024 162.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -116.17 106.12 13.35 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 128.813 2.845 . . . . 0.0 105.059 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.27 -10.15 9.38 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.958 1.742 . . . . 0.0 114.705 168.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.74 HD12 ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -28.86 108.07 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.546 1.938 . . . . 0.0 109.559 173.645 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.93 -59.25 2.28 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.57 1.948 . . . . 0.0 106.925 -170.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -71.32 157.72 37.6 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.988 157.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' OD1' HG13 ' A' ' 53' ' ' VAL . 15.0 t0 -143.42 97.23 3.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 123.739 1.733 . . . . 0.0 107.148 -178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -56.9 -51.59 68.49 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.358 -2.201 . . . . 0.0 109.249 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 168.45 56.05 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 128.421 2.689 . . . . 0.0 107.357 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.557 HG11 HD22 ' A' ' 47' ' ' LEU . 32.1 m -62.72 140.08 20.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.257 -168.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.62 167.7 20.2 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 123.309 1.528 . . . . 0.0 112.148 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -93.03 105.34 17.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 112.093 -2.321 . . . . 0.0 109.09 -172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 pt -78.18 137.7 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 122.909 0.484 . . . . 0.0 109.934 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.48 151.07 42.73 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 174.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -56.45 -57.66 11.35 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.897 0.771 . . . . 0.0 109.214 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.61 -35.58 30.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.272 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -40.81 63.96 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.897 0.772 . . . . 0.0 110.001 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -58.93 5.9 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 175.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.4 m -51.97 -54.73 26.23 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 125.557 1.543 . . . . 0.0 109.716 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -48.17 -49.38 32.85 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 124.102 0.961 . . . . 0.0 110.859 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.1 m -94.69 20.34 8.74 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.14 0.976 . . . . 0.0 113.113 -172.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.76 -69.28 0.76 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 119.878 1.217 . . . . 0.0 109.133 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.2 t -48.73 -37.47 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 126.355 1.862 . . . . 0.0 111.621 -168.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -24.63 -61.1 0.06 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 128.162 2.585 . . . . 0.0 112.631 166.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.8 mt -116.77 -43.47 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 125.803 1.641 . . . . 0.0 109.664 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.3 mt . . . . . 0 C--N 1.339 0.144 0 C-N-CA 125.028 1.331 . . . . 0.0 108.554 176.78 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 120.714 0.293 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -149.53 0.39 Allowed 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 150.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -49.12 152.71 1.07 Allowed 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.777 -1.202 . . . . 0.0 110.046 158.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.14 -160.46 17.33 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 108.196 -1.962 . . . . 0.0 108.196 169.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -106.03 126.54 52.32 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 166.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.91 138.36 36.14 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.867 HG11 HD13 ' A' ' 54' ' ' LEU . 16.6 m -124.15 144.61 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 122.952 0.501 . . . . 0.0 111.067 -173.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -77.76 -117.58 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.568 2.347 . . . . 0.0 110.623 -166.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.0 t -72.39 63.5 0.56 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.281 1.432 . . . . 0.0 108.663 165.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m 85.47 68.1 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.971 1.308 . . . . 0.0 109.226 154.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.425 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 85.36 -4.8 85.07 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 114.386 -1.279 . . . . 0.0 113.574 172.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -68.12 145.49 54.34 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 163.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.423 ' CG1' HG12 ' A' ' 7' ' ' VAL . 23.4 m -143.77 155.71 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.843 1.257 . . . . 0.0 109.291 -176.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.4 m -71.38 108.32 4.76 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 160.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.17 -65.2 0.72 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.999 0.919 . . . . 0.0 109.0 173.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.0 p 56.91 -179.51 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.726 2.41 . . . . 0.0 116.234 160.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.21 -46.53 1.11 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.798 1.639 . . . . 0.0 111.329 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.67 117.59 10.58 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.271 -0.893 . . . . 0.0 112.544 -170.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -61.56 -55.98 24.98 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.262 1.025 . . . . 0.0 111.221 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -53.87 -46.82 71.44 Favored 'General case' 0 N--CA 1.458 -0.056 0 C-N-CA 123.52 0.728 . . . . 0.0 110.944 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -50.04 -56.15 11.92 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.888 0.875 . . . . 0.0 110.475 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -42.77 98.51 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.358 -175.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -42.76 65.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.243 0.617 . . . . 0.0 110.904 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -58.42 -56.5 21.28 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 121.47 -0.768 . . . . 0.0 110.868 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 mm -59.31 -43.14 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.099 0.476 . . . . 0.0 109.965 -177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 25.2 m -46.07 -60.36 2.32 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.367 1.867 . . . . 0.0 110.403 173.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 t -72.72 -24.4 60.98 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.683 1.129 . . . . 0.0 113.551 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -79.74 -52.26 8.17 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 119.56 1.073 . . . . 0.0 112.27 -168.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 t -101.48 -51.77 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 126.243 1.817 . . . . 0.0 107.991 -171.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -80.29 -41.16 25.47 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.252 -167.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.326 28.5 m-85 83.62 51.1 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 127.181 2.192 . . . . 0.0 111.151 -176.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -78.37 -167.28 1.01 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.461 155.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.8 t -112.9 -57.18 2.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.021 1.329 . . . . 0.0 109.488 158.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.78 -162.73 0.83 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.515 1.126 . . . . 0.0 109.988 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.92 178.47 24.88 Favored Glycine 0 C--N 1.342 0.912 0 N-CA-C 108.583 -1.807 . . . . 0.0 108.583 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -178.7 170.18 1.61 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.113 1.365 . . . . 0.0 108.721 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 60.3 m -75.84 86.14 2.81 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 43.2 t -62.87 164.57 7.86 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -7.99 -57.37 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 129.953 3.301 . . . . 0.0 115.204 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.52 39.83 0.57 Allowed 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 170.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -164.56 170.6 15.61 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 120.842 -1.161 . . . . 0.0 112.016 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.58 97.76 11.38 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.867 1.317 . . . . 0.0 112.115 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.42 152.2 44.47 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-N 112.726 -2.034 . . . . 0.0 109.323 164.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.896 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.255 5.0 m -148.78 141.94 25.0 Favored 'General case' 0 N--CA 1.418 -2.052 0 O-C-N 125.649 1.843 . . . . 0.0 106.673 -176.394 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -103.51 143.74 32.33 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 119.358 0.981 . . . . 0.0 109.654 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.55 57.5 9.34 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 124.36 0.981 . . . . 0.0 111.879 174.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.896 HD21 ' HB3' ' A' ' 44' ' ' CYS . 4.2 mt -61.29 126.97 29.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 169.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -96.16 -71.22 0.68 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -62.66 152.81 34.27 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 156.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -139.84 94.61 2.79 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 124.213 1.959 . . . . 0.0 107.079 -169.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -71.84 62.29 0.42 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 112.685 -2.052 . . . . 0.0 108.538 167.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 42.07 70.83 0.25 Allowed 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.98 2.112 . . . . 0.0 111.9 176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.726 ' CG1' HD12 ' A' ' 47' ' ' LEU . 15.3 m -52.62 145.61 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.922 0.868 . . . . 0.0 112.955 -170.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.867 HD13 HG11 ' A' ' 7' ' ' VAL . 1.6 tp -63.61 166.96 6.2 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 123.542 1.639 . . . . 0.0 111.194 178.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 116.37 22.5 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 111.78 -2.464 . . . . 0.0 105.187 -175.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 pt -133.35 148.68 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 -153.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 144.01 25.58 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.56 -51.0 71.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 122.313 1.054 . . . . 0.0 109.853 -174.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -37.67 50.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.359 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -40.93 66.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.76 -60.96 2.58 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 174.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 t -47.41 -60.66 2.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.29 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -46.16 -44.68 16.11 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.288 1.435 . . . . 0.0 111.583 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.1 m -112.18 27.45 9.64 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 117.444 -1.265 . . . . 0.0 113.586 -169.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -127.91 -44.43 1.47 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.845 1.657 . . . . 0.0 110.101 173.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.11 -27.19 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 124.64 1.176 . . . . 0.0 112.669 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -43.42 -70.35 0.11 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 127.951 2.5 . . . . 0.0 113.766 -167.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.6 mt -93.38 -62.2 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.3 mt . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 124.844 1.258 . . . . 0.0 111.466 -174.543 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm . . . . . 0 CA--C 1.526 0.024 0 CA-C-O 121.723 0.773 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -155.68 0.32 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 172.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -67.32 143.11 56.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 158.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.05 -175.89 43.81 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -172.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -90.31 133.5 34.92 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 119.459 -0.305 . . . . 0.0 110.485 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -87.65 142.17 28.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.287 0.367 . . . . 0.0 110.285 174.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.414 HG11 HD13 ' A' ' 54' ' ' LEU . 11.3 m -135.31 152.52 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.592 0.757 . . . . 0.0 110.009 168.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.3 -63.64 0.9 Allowed 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 126.243 1.817 . . . . 0.0 110.986 173.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 t -162.65 -47.01 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 128.251 2.62 . . . . 0.0 108.243 -178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 t -103.68 -42.48 5.63 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.025 1.33 . . . . 0.0 109.855 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.409 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 112.28 73.79 0.67 Allowed Glycine 0 C--N 1.34 0.757 0 N-CA-C 115.467 0.947 . . . . 0.0 115.467 167.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -72.7 77.71 1.11 Allowed 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 152.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.8 m -49.5 127.04 4.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 121.27 0.557 . . . . 0.0 110.911 -173.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -81.51 53.88 2.21 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.727 0.811 . . . . 0.0 111.227 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -36.46 -84.84 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 128.058 2.543 . . . . 0.0 113.833 -167.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 162.5 0.26 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.052 1.741 . . . . 0.0 113.902 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -106.1 -41.79 5.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.008 1.323 . . . . 0.0 111.84 167.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.92 72.79 3.51 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.852 -1.155 . . . . 0.0 111.784 -176.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -6.77 -64.71 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 129.121 2.969 . . . . 0.0 116.837 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -49.21 -35.2 16.59 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.472 1.109 . . . . 0.0 112.779 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -45.85 -48.87 15.8 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 122.806 0.442 . . . . 0.0 111.384 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.37 -50.38 65.76 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.287 -0.864 . . . . 0.0 109.633 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -44.94 -51.14 10.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.325 1.05 . . . . 0.0 112.279 170.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -55.68 -57.63 11.16 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 123.626 0.77 . . . . 0.0 111.355 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.11 -37.6 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 123.511 0.724 . . . . 0.0 110.055 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 m -57.2 -51.13 70.57 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 125.553 1.541 . . . . 0.0 109.052 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -42.94 72.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 119.547 -0.861 . . . . 0.0 111.187 176.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -62.61 -52.75 62.13 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.433 -0.792 . . . . 0.0 111.855 -171.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -99.57 -44.74 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 C-N-CA 126.085 1.754 . . . . 0.0 110.32 -170.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -94.41 -8.63 38.12 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.01 0.924 . . . . 0.0 112.202 -171.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 59.33 33.73 22.59 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.836 0.855 . . . . 0.0 110.696 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.41 148.61 22.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.495 1.518 . . . . 0.0 108.678 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -75.06 -36.71 61.78 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.477 -0.765 . . . . 0.0 111.172 -171.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.7 m -145.34 -164.4 1.93 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.579 1.551 . . . . 0.0 107.834 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.25 173.91 23.01 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -174.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.92 169.88 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.688 1.195 . . . . 0.0 108.35 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.0 m -86.75 93.57 9.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -174.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.15 163.95 26.11 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.62 1.568 . . . . 0.0 109.828 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -5.58 -62.37 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 130.548 3.539 . . . . 0.0 114.75 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.29 44.89 0.55 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.801 0.841 . . . . 0.0 109.92 172.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.22 179.79 4.36 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 120.795 -1.191 . . . . 0.0 110.212 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.2 t -114.74 111.0 20.59 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 123.414 0.686 . . . . 0.0 112.209 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.23 144.63 31.45 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.114 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.6 ' CB ' HD21 ' A' ' 47' ' ' LEU . 1.5 m -134.74 141.31 46.45 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -103.89 137.75 41.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 119.543 1.065 . . . . 0.0 108.598 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.05 63.53 4.19 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.6 HD21 ' CB ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -62.39 75.04 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 117.467 0.634 . . . . 0.0 109.765 169.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.29 -57.14 11.57 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.973 0.892 . . . . 0.0 110.413 -171.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.33 -52.09 6.01 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.952 2.101 . . . . 0.0 110.688 169.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 t0 69.65 88.66 0.11 Allowed 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 129.772 3.229 . . . . 0.0 109.167 -176.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -67.73 -54.66 17.52 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.828 -169.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 175.14 59.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.955 2.102 . . . . 0.0 105.395 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -64.76 137.29 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.369 -156.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD13 HG11 ' A' ' 7' ' ' VAL . 1.4 tp -77.03 171.91 14.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 124.102 1.905 . . . . 0.0 114.302 -161.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -83.11 63.86 7.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 111.841 -2.436 . . . . 0.0 109.616 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pt -54.72 133.5 18.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.107 0.48 . . . . 0.0 110.718 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.3 147.5 48.04 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.27 -42.74 99.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 123.037 1.399 . . . . 0.0 110.988 -170.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.53 -41.63 77.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.705 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.26 -42.42 68.83 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 118.815 0.734 . . . . 0.0 109.15 -178.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -49.95 -60.35 3.01 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.314 1.446 . . . . 0.0 108.613 173.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -53.07 -55.18 25.82 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.496 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -50.75 -42.81 57.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.921 0.889 . . . . 0.0 111.501 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.1 m -113.02 39.43 2.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.223 1.409 . . . . 0.0 111.862 -169.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -128.88 -55.6 1.2 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 119.892 1.223 . . . . 0.0 111.465 165.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -54.88 -29.0 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.663 1.185 . . . . 0.0 111.966 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -19.72 -66.76 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 129.677 3.191 . . . . 0.0 114.029 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mm -85.83 -17.84 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.447 0.699 . . . . 0.0 110.654 -171.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.1 mt . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 177.574 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.308 0.575 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.424 ' HD3' ' H ' ' A' ' 3' ' ' ASN . 0.3 OUTLIER -163.58 -84.97 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 -154.658 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.482 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 22.2 p30 -127.9 158.56 37.47 Favored 'General case' 0 N--CA 1.428 -1.573 0 C-N-CA 127.621 2.369 . . . . 0.0 105.558 158.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.47 175.24 32.28 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 -167.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -79.61 106.6 11.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 124.283 0.637 . . . . 0.0 109.885 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.89 131.08 38.38 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HB ' ' CA ' ' A' ' 11' ' ' GLY . 8.4 m -109.25 142.89 20.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 C-N-CA 123.632 0.773 . . . . 0.0 109.717 -175.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -22.18 -109.5 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 131.097 3.759 . . . . 0.0 114.34 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -124.08 36.59 4.59 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.623 1.569 . . . . 0.0 107.042 153.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 t -154.22 -66.36 0.14 Allowed 'General case' 0 C--N 1.343 0.289 0 O-C-N 121.831 -0.543 . . . . 0.0 112.372 -175.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 7' ' ' VAL . . . 157.4 -37.57 0.55 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 -161.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -24.27 127.88 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.658 1.183 . . . . 0.0 110.371 143.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.8 m -95.97 -176.78 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.205 1.002 . . . . 0.0 109.971 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 t -139.45 144.16 37.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 162.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -119.92 -175.49 2.98 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.097 1.759 . . . . 0.0 108.562 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.5 p 161.03 -178.16 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 127.951 2.5 . . . . 0.0 109.445 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.81 -41.42 8.46 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.851 1.26 . . . . 0.0 111.418 164.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.96 123.6 22.41 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.387 -0.82 . . . . 0.0 113.205 -169.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -54.59 -44.54 73.09 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.701 -0.624 . . . . 0.0 110.183 163.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -55.67 -44.24 77.09 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.745 1.218 . . . . 0.0 111.802 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -53.56 -53.32 53.38 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -52.09 62.68 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.107 -175.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -42.33 -50.05 5.06 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 120.268 1.394 . . . . 0.0 111.946 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -56.64 -59.34 5.15 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 119.413 -0.327 . . . . 0.0 111.149 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mm -53.9 -56.61 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.14 0.976 . . . . 0.0 110.574 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 21.0 m -36.97 -56.88 0.85 Allowed 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 128.538 2.735 . . . . 0.0 111.339 173.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.11 -31.65 44.28 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.212 -175.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -65.05 -47.98 75.45 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.857 0.863 . . . . 0.0 110.584 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.2 t -106.32 -45.77 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 C-N-CA 124.73 1.212 . . . . 0.0 110.304 -167.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -100.88 -9.69 21.37 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.382 1.073 . . . . 0.0 111.93 -171.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.26 39.9 m-85 64.36 27.87 13.69 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.734 1.614 . . . . 0.0 113.439 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -81.69 143.22 32.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 122.749 0.419 . . . . 0.0 110.919 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -65.16 -43.39 91.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.566 0.698 . . . . 0.0 111.373 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 t -155.96 -164.55 1.73 Allowed 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.511 -0.743 . . . . 0.0 109.936 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.06 176.02 25.12 Favored Glycine 0 C--N 1.332 0.31 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 -154.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -170.53 164.72 8.47 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.3 m -75.14 91.09 2.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.6 t -67.84 165.05 18.32 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.449 1.499 . . . . 0.0 109.133 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -13.59 -57.93 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 129.071 2.948 . . . . 0.0 114.417 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.76 48.5 0.87 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.973 0.416 . . . . 0.0 111.669 170.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 t -168.74 -169.92 1.1 Allowed 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.179 -0.95 . . . . 0.0 109.952 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 t -117.06 107.03 14.03 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 124.558 1.143 . . . . 0.0 110.168 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.92 147.51 45.21 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.504 -1.226 . . . . 0.0 107.983 170.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.8 m -135.73 160.32 38.9 Favored 'General case' 0 N--CA 1.426 -1.641 0 C-N-CA 125.946 1.698 . . . . 0.0 108.018 172.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -127.15 23.52 6.47 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.65 1.98 . . . . 0.0 113.882 -172.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.28 49.84 0.2 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 169.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.735 ' H ' HD12 ' A' ' 47' ' ' LEU . 2.8 mp -60.01 163.59 4.61 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 122.248 1.023 . . . . 0.0 109.761 -178.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -67.24 -160.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.435 -1.711 . . . . 0.0 106.89 163.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.56 -171.35 0.12 Allowed 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.742 -0.599 . . . . 0.0 110.738 174.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -83.45 72.04 10.27 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 124.412 2.053 . . . . 0.0 109.515 -172.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 55.4 0.17 Allowed 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 112.682 -2.054 . . . . 0.0 109.738 161.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.2 63.09 2.34 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.272 1.829 . . . . 0.0 111.826 -175.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 m -62.9 137.3 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 167.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.17 169.4 3.52 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 123.224 1.488 . . . . 0.0 111.69 -173.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -100.22 112.89 25.23 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 112.718 -2.037 . . . . 0.0 106.15 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 56' ' ' ILE . 21.1 pt -112.06 145.44 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 123.422 0.689 . . . . 0.0 109.591 -163.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 150.7 40.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -176.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -58.67 -61.72 2.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.969 0.89 . . . . 0.0 110.567 -170.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.73 -41.37 56.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.953 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.1 p -71.55 -31.31 66.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.081 -0.648 . . . . 0.0 112.312 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -65.85 0.57 Allowed 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 105.943 -1.873 . . . . 0.0 105.943 171.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -47.02 -49.16 21.58 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.655 0.782 . . . . 0.0 112.211 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -48.52 -49.75 34.74 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.415 1.086 . . . . 0.0 111.111 171.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.0 m -102.85 34.82 2.7 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.381 1.872 . . . . 0.0 112.622 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -118.37 -76.99 0.57 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.293 1.037 . . . . 0.0 109.227 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.2 t -65.48 -21.57 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 123.958 0.903 . . . . 0.0 111.458 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -19.98 -64.85 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 130.331 3.452 . . . . 0.0 114.86 -176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.34 -14.87 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.367 0.667 . . . . 0.0 111.688 -169.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.4 mt . . . . . 0 CA--C 1.532 0.257 0 O-C-N 121.055 -1.028 . . . . 0.0 108.478 -179.559 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.406 ' NZ ' ' OD1' ' A' ' 48' ' ' ASP . 33.3 mttt . . . . . 0 CA--C 1.532 0.275 0 CA-C-O 121.468 0.651 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -77.54 -178.21 5.15 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.403 ' CB ' ' HA ' ' A' ' 45' ' ' PHE . 42.1 p-10 -73.01 147.21 45.34 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 153.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.88 -161.51 32.79 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 107.09 -2.404 . . . . 0.0 107.09 -159.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.4 ' HB2' ' CB ' ' A' ' 54' ' ' LEU . 9.4 m-30 -102.57 139.17 38.51 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 117.217 0.509 . . . . 0.0 110.56 175.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.85 130.52 42.77 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.47 -0.492 . . . . 0.0 109.708 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.501 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 3.6 m -113.04 147.94 16.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 O-C-N 123.102 0.251 . . . . 0.0 110.699 167.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -15.27 -76.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 128.966 2.906 . . . . 0.0 113.124 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 164.38 -44.3 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 130.834 3.654 . . . . 0.0 105.405 -164.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 p -95.53 19.19 11.38 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.772 2.029 . . . . 0.0 110.609 172.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.501 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 77.79 35.58 35.29 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.272 0.939 . . . . 0.0 114.442 162.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.2 127.0 55.46 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.08 151.55 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.8 t -67.59 137.62 55.81 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 166.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -46.08 -64.91 0.63 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.922 1.689 . . . . 0.0 110.129 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.286 0.7 OUTLIER 73.58 99.89 0.07 Allowed 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 127.025 2.13 . . . . 0.0 112.263 -178.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.71 -35.41 75.03 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.917 172.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 21' ' ' TYR . 1.1 pp -159.37 160.73 35.31 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.771 0.796 . . . . 0.0 111.49 -172.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -62.55 -46.98 85.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.373 1.069 . . . . 0.0 111.957 -170.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -55.68 -48.05 75.73 Favored 'General case' 0 CA--C 1.526 0.055 0 CA-C-O 119.691 -0.195 . . . . 0.0 110.595 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' H ' HD12 ' A' ' 18' ' ' LEU . 5.7 t80 -53.23 -53.63 47.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.5 t -53.09 -57.81 9.15 Favored 'General case' 0 C--O 1.225 -0.218 0 O-C-N 123.062 0.226 . . . . 0.0 110.779 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -50.36 -56.15 12.57 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.425 1.49 . . . . 0.0 111.453 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -51.86 -54.4 29.6 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 124.458 1.103 . . . . 0.0 111.423 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.3 mm -55.26 -46.1 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 123.814 0.846 . . . . 0.0 109.254 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.365 0.1 OUTLIER -67.13 -37.87 84.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -170.159 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.1 t -70.45 -37.83 74.39 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.328 -0.549 . . . . 0.0 111.607 167.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -66.16 -41.74 89.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 119.346 0.975 . . . . 0.0 110.852 -170.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -98.04 -62.9 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.338 0 C-N-CA 125.648 1.579 . . . . 0.0 108.262 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -90.07 -4.93 57.08 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.446 0.698 . . . . 0.0 112.838 -164.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 52.38 37.19 21.87 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 124.862 1.265 . . . . 0.0 111.9 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.42 140.88 44.99 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 167.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -76.22 -5.66 47.84 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.611 -0.681 . . . . 0.0 112.734 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.0 -165.47 0.24 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.992 1.317 . . . . 0.0 108.783 174.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.84 169.27 22.04 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 127.219 2.342 . . . . 0.0 107.629 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -175.17 169.2 3.32 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.314 1.446 . . . . 0.0 109.267 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.75 89.66 2.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.241 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.91 163.04 12.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 160.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.617 ' CD1' HG22 ' A' ' 60' ' ' THR . 8.4 mt -22.98 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 128.916 2.886 . . . . 0.0 116.352 -175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -149.59 32.96 0.7 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.743 0.701 . . . . 0.0 111.483 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.31 168.0 15.46 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 121.076 -1.015 . . . . 0.0 112.902 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.08 102.58 10.32 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 124.386 1.074 . . . . 0.0 110.559 169.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -59.99 151.35 26.52 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 113.932 -1.485 . . . . 0.0 107.814 151.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' CB ' HD21 ' A' ' 47' ' ' LEU . 16.5 m -157.55 131.64 8.22 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 -171.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.403 ' HA ' ' CB ' ' A' ' 3' ' ' ASN . 40.4 m-85 -100.34 128.91 46.29 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 119.034 0.834 . . . . 0.0 111.892 -169.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.85 61.17 7.1 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD21 ' CB ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -58.89 120.82 9.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -175.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.406 ' OD1' ' NZ ' ' A' ' 1' ' ' LYS . 58.8 t0 -83.7 -57.37 3.25 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -48.11 -47.0 34.66 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.819 172.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.479 ' OD1' HG13 ' A' ' 53' ' ' VAL . 66.9 t0 45.44 81.46 0.04 OUTLIER 'General case' 0 C--N 1.341 0.239 0 CA-C-O 124.686 2.184 . . . . 0.0 110.681 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -75.46 71.32 2.4 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 111.645 -2.525 . . . . 0.0 108.889 161.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.95 57.52 6.46 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.749 1.22 . . . . 0.0 110.983 166.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.479 HG13 ' OD1' ' A' ' 50' ' ' ASP . 10.1 m -38.06 128.67 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 O-C-N 124.564 1.165 . . . . 0.0 112.015 -162.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.403 HD13 ' CG1' ' A' ' 7' ' ' VAL . 1.1 tp -65.12 170.51 4.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 123.594 1.664 . . . . 0.0 112.597 -171.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.64 121.91 44.53 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 111.696 -2.502 . . . . 0.0 107.673 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.24 150.23 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.859 1.664 . . . . 0.0 108.19 -172.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' NZ ' HG21 ' A' ' 60' ' ' THR . 1.5 mtmt -73.2 154.97 40.05 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 175.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.86 -43.58 83.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 122.877 1.323 . . . . 0.0 110.488 -169.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.5 72.67 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.588 171.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.617 HG22 ' CD1' ' A' ' 39' ' ' LEU . 59.7 p -69.27 -41.27 77.09 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 118.687 0.676 . . . . 0.0 111.522 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -49.5 -59.81 3.41 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 172.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 t -51.17 -56.15 14.27 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.407 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -50.01 -43.86 50.91 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.736 0.814 . . . . 0.0 110.908 176.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.2 m -106.72 34.35 3.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.071 1.348 . . . . 0.0 112.214 -169.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -125.7 -59.63 1.35 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.93 1.241 . . . . 0.0 112.072 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.17 -24.27 23.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.765 1.226 . . . . 0.0 112.089 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -20.43 -67.61 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 129.527 3.131 . . . . 0.0 113.591 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.6 mm -89.71 -47.28 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.566 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.211 0 N-CA-C 110.699 -0.111 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.403 ' H ' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -136.13 155.24 50.47 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 128.352 2.661 . . . . 0.0 105.852 172.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -35.65 117.19 0.42 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.36 1.464 . . . . 0.0 110.585 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 -159.18 7.87 Favored Glycine 0 N--CA 1.459 0.185 0 N-CA-C 108.042 -2.023 . . . . 0.0 108.042 -166.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.02 156.34 24.27 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 119.068 -1.053 . . . . 0.0 111.047 154.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.465 ' HB1' ' CZ ' ' A' ' 30' ' ' TYR . . . -86.15 139.54 30.99 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.789 176.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 m -137.08 143.67 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 149.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.89 -158.05 0.37 Allowed 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.115 0.884 . . . . 0.0 111.175 -172.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t -72.91 48.54 0.21 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.526 -1.216 . . . . 0.0 109.244 154.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -165.87 -53.77 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.368 1.067 . . . . 0.0 109.687 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.32 31.88 66.97 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 123.502 0.572 . . . . 0.0 113.445 -171.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -66.28 81.59 0.09 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 157.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.0 m -46.81 121.95 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 122.006 0.908 . . . . 0.0 112.054 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.8 m -78.08 75.62 4.61 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -47.59 -62.39 1.47 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.814 1.245 . . . . 0.0 109.374 169.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.3 p 56.94 178.4 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.753 2.421 . . . . 0.0 115.577 169.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -50.2 0.95 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.503 1.521 . . . . 0.0 110.029 173.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.97 75.05 5.49 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.076 -1.015 . . . . 0.0 111.72 -171.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -18.79 -50.62 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.831 2.852 . . . . 0.0 116.293 174.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -48.34 -47.72 36.79 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.846 1.258 . . . . 0.0 111.424 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.59 -50.51 69.92 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.922 0.889 . . . . 0.0 109.749 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.29 -53.37 58.08 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.041 0.448 . . . . 0.0 109.802 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -47.46 65.29 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.719 1.208 . . . . 0.0 110.015 176.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.73 -56.17 24.91 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 121.791 -0.568 . . . . 0.0 111.836 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.9 mm -53.56 -50.93 46.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.987 0.915 . . . . 0.0 109.888 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 7.0 m -46.22 -50.92 15.25 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.569 1.947 . . . . 0.0 110.655 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -76.66 -31.67 57.45 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 120.644 -1.285 . . . . 0.0 112.751 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -46.18 63.42 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.225 -0.922 . . . . 0.0 110.702 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 t -105.16 -53.2 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 C-N-CA 125.485 1.514 . . . . 0.0 109.294 -172.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.465 ' CZ ' ' HB1' ' A' ' 6' ' ' ALA . 98.2 m-85 -75.96 -45.21 36.1 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.174 -167.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.306 21.3 m-85 82.97 31.85 0.08 Allowed 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 126.341 1.856 . . . . 0.0 111.037 -171.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -50.71 162.17 0.28 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.994 144.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.1 t -92.31 -22.31 19.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.783 0.833 . . . . 0.0 111.912 164.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 t -167.48 -157.11 0.22 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.33 174.29 31.0 Favored Glycine 0 C--N 1.338 0.653 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 -170.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -169.45 172.43 7.1 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.447 1.099 . . . . 0.0 109.533 177.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.0 m -76.73 89.46 3.39 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 125.835 1.654 . . . . 0.0 108.98 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.5 t -83.89 163.67 19.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.792 1.237 . . . . 0.0 109.733 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -39.67 -21.49 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 129.892 3.277 . . . . 0.0 117.557 -167.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.02 22.1 0.37 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.087 1.312 . . . . 0.0 113.658 166.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -173.44 -173.81 0.93 Allowed 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.038 -1.039 . . . . 0.0 109.854 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 104.58 17.15 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 125.354 1.461 . . . . 0.0 109.987 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.13 147.89 28.46 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-N 114.559 -1.201 . . . . 0.0 109.294 161.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.737 ' CB ' HD21 ' A' ' 47' ' ' LEU . 17.0 m -136.48 117.77 14.59 Favored 'General case' 0 N--CA 1.413 -2.317 0 O-C-N 125.659 1.849 . . . . 0.0 106.41 172.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -75.32 151.42 38.28 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.054 0.942 . . . . 0.0 109.826 170.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.52 48.9 27.77 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 124.762 1.172 . . . . 0.0 112.234 172.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.737 HD21 ' CB ' ' A' ' 44' ' ' CYS . 49.8 mt -63.18 146.89 52.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 163.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -133.16 -51.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.833 0.853 . . . . 0.0 110.024 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -62.39 165.28 6.24 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.607 157.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -143.34 100.98 3.72 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 170.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -56.01 7.56 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.818 176.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -177.91 57.96 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.254 2.222 . . . . 0.0 107.045 170.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.585 HG11 HD13 ' A' ' 47' ' ' LEU . 20.0 m -60.17 151.09 5.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.125 0.488 . . . . 0.0 110.125 -168.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.6 161.13 31.27 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 123.513 1.625 . . . . 0.0 110.87 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -124.8 70.46 1.14 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 111.617 -2.538 . . . . 0.0 105.946 -157.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 pt -90.06 157.8 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.849 -150.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -61.69 145.08 53.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.373 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 2.6 m-20 -62.18 -39.81 93.95 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.524 2.33 . . . . 0.0 110.929 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.13 -60.98 2.43 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.756 166.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -38.48 80.86 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 58' ' ' ASP . 9.6 mttt -48.68 -55.01 12.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.825 0.739 . . . . 0.0 110.583 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.3 t -63.21 -56.55 15.69 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.396 -0.922 . . . . 0.0 109.343 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -51.63 -30.69 22.39 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 126.471 1.909 . . . . 0.0 112.22 -175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 85.4 m -120.83 33.23 5.64 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.745 -1.121 . . . . 0.0 111.035 -175.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -137.71 -51.37 0.62 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.154 1.343 . . . . 0.0 111.585 164.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.71 -35.3 13.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.679 1.192 . . . . 0.0 110.824 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -20.35 -66.54 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 128.69 2.796 . . . . 0.0 113.045 165.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.1 mt -100.41 -40.66 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.6 mm . . . . . 0 C--O 1.231 0.117 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.137 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.9 tttp . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 122.372 1.082 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.92 -174.17 2.97 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.843 2.057 . . . . 0.0 108.466 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.447 ' CB ' ' HA ' ' A' ' 45' ' ' PHE . 12.0 p-10 -65.04 108.08 1.71 Allowed 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.002 -1.061 . . . . 0.0 108.804 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.6 -167.6 16.51 Favored Glycine 0 CA--C 1.522 0.485 0 C-N-CA 126.02 1.771 . . . . 0.0 109.166 -166.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -106.36 147.28 29.42 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 118.803 -1.159 . . . . 0.0 108.37 146.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.85 137.44 40.15 Favored 'General case' 0 N--CA 1.454 -0.225 0 O-C-N 125.221 1.576 . . . . 0.0 109.517 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.531 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -102.64 161.99 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.223 0.609 . . . . 0.0 110.07 165.303 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -52.03 168.48 0.09 Allowed 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.759 1.223 . . . . 0.0 111.051 165.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -52.31 -20.7 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.652 -1.613 . . . . 0.0 112.536 169.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 p -125.79 31.98 5.38 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.674 1.124 . . . . 0.0 111.707 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.531 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 78.55 42.65 13.6 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 114.275 0.47 . . . . 0.0 114.275 157.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -123.64 131.7 53.68 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.608 0.763 . . . . 0.0 109.538 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 m -76.22 136.33 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 122.994 0.518 . . . . 0.0 110.152 -176.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -82.9 68.94 9.59 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.26 177.49 2.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.007 0.432 . . . . 0.0 110.828 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.7 p 160.96 174.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 126.847 2.059 . . . . 0.0 111.167 -162.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.12 -42.14 9.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.919 0.888 . . . . 0.0 111.156 162.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.69 117.03 12.75 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.351 -0.843 . . . . 0.0 113.156 -168.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -48.96 -51.4 30.59 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.18 0.992 . . . . 0.0 110.999 170.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -56.47 -49.88 73.37 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.704 0.801 . . . . 0.0 110.497 -174.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -49.92 -60.0 3.33 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.043 0.937 . . . . 0.0 110.247 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -51.48 -53.8 33.63 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.451 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -49.45 75.69 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -176.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -52.64 -53.23 49.92 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 124.561 1.144 . . . . 0.0 110.795 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.9 mm -60.6 -48.34 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.267 0.627 . . . . 0.0 109.896 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -37.09 85.83 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.92 -168.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.7 t -76.04 -47.58 24.2 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 123.324 0.39 . . . . 0.0 111.204 169.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -52.6 -52.5 55.05 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.875 0.87 . . . . 0.0 110.786 -170.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 t -89.26 -60.25 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 C-N-CA 124.268 1.027 . . . . 0.0 108.591 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.48 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -109.64 17.64 21.1 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.382 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.5 p90 54.65 36.42 26.02 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 159.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HB2' ' CD2' ' A' ' 47' ' ' LEU . . . -62.71 -173.68 0.05 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.561 0.344 . . . . 0.0 110.119 147.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.9 p -108.01 -93.1 0.41 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.433 1.093 . . . . 0.0 108.798 168.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -83.45 -164.84 0.96 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.014 1.326 . . . . 0.0 109.328 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.16 170.51 16.87 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 -174.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -175.07 160.4 2.75 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.033 1.733 . . . . 0.0 108.766 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.0 m -75.37 88.5 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.69 168.89 4.43 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.921 1.289 . . . . 0.0 108.561 169.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 tp 0.44 -64.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 130.529 3.532 . . . . 0.0 115.349 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.38 39.36 0.34 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.707 1.203 . . . . 0.0 110.249 173.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 m -161.74 153.51 19.04 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.193 -0.942 . . . . 0.0 110.673 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.8 t -86.54 103.68 15.28 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.942 0.877 . . . . 0.0 110.906 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.85 150.31 48.78 Favored 'General case' 0 CA--C 1.495 -1.158 0 C-N-CA 126.422 1.889 . . . . 0.0 108.715 169.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.961 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.265 23.6 m -158.62 110.47 2.21 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -157.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' HA ' ' CB ' ' A' ' 3' ' ' ASN . 24.8 m-85 -83.55 141.09 31.84 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 123.188 0.305 . . . . 0.0 110.639 -168.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.44 61.3 5.16 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 124.241 0.924 . . . . 0.0 111.905 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.961 HD21 ' HB3' ' A' ' 44' ' ' CYS . 1.8 mt -63.4 116.12 5.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 163.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -92.12 -76.26 0.46 Allowed 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.05 149.89 2.58 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 153.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.95 85.33 2.36 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 129.257 3.023 . . . . 0.0 106.569 -163.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.61 ' CD ' ' H ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -83.34 56.73 3.67 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 126.534 1.934 . . . . 0.0 107.4 -175.274 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 38.25 55.95 1.74 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.83 1.652 . . . . 0.0 109.865 -166.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.91 144.98 8.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 CA-C-O 121.313 0.578 . . . . 0.0 109.727 -166.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.22 164.6 26.45 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 124.167 1.937 . . . . 0.0 114.243 -162.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -83.47 66.61 8.98 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 111.846 -2.433 . . . . 0.0 107.579 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.49 134.9 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.118 -176.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.558 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -91.08 146.84 23.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -172.559 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.79 -41.86 91.46 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 125.528 1.531 . . . . 0.0 110.84 -168.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.42 -54.11 36.4 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.078 166.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.3 p -68.01 -30.53 69.8 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.15 -1.02 . . . . 0.0 112.529 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -54.21 -58.0 9.05 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.011 1.325 . . . . 0.0 107.856 173.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -63.25 -48.4 78.35 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 119.087 -1.045 . . . . 0.0 110.987 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -49.55 -42.36 43.92 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 123.609 0.764 . . . . 0.0 111.123 176.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 59.7 m -125.34 52.59 1.6 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.916 1.286 . . . . 0.0 111.134 -167.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -139.59 -60.57 0.55 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.445 0.641 . . . . 0.0 110.818 164.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -45.78 -37.54 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.238 1.815 . . . . 0.0 111.456 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -22.48 -63.16 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 128.292 2.637 . . . . 0.0 112.918 168.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.9 mt -106.65 -35.53 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 C-N-CA 124.388 1.075 . . . . 0.0 108.55 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 C--N 1.34 0.191 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 168.727 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? . . . . . 0 N--CA 1.45 -0.442 0 CA-C-O 119.119 -0.467 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.3 -168.03 2.89 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -166.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.461 ' HA ' HD11 ' A' ' 47' ' ' LEU . 8.7 m-20 -125.2 152.74 44.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.513 1.052 . . . . 0.0 109.502 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.56 168.38 40.75 Favored Glycine 0 CA--C 1.52 0.345 0 O-C-N 121.206 -0.934 . . . . 0.0 110.801 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -86.13 108.29 18.24 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 171.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.03 137.28 40.13 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -172.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 m -143.1 159.48 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 166.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -160.0 0.38 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.511 0.672 . . . . 0.0 109.742 172.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -74.51 47.79 0.32 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.006 154.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -135.2 -58.6 0.79 Allowed 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.905 1.282 . . . . 0.0 108.589 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.69 64.56 3.36 Favored Glycine 0 C--N 1.336 0.568 0 CA-C-O 122.349 0.971 . . . . 0.0 110.923 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.63 147.05 52.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 104.533 -2.395 . . . . 0.0 104.533 154.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -75.21 126.75 36.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-O 121.163 0.506 . . . . 0.0 111.088 -167.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 m -75.39 64.04 1.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.376 0.67 . . . . 0.0 109.309 170.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 177.82 1.11 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 168.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.5 p 155.15 169.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.272 1.829 . . . . 0.0 110.731 -162.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.96 -37.55 5.81 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.881 1.272 . . . . 0.0 110.012 158.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.07 80.17 2.91 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.116 -0.99 . . . . 0.0 110.943 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -27.06 -45.98 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.477 2.311 . . . . 0.0 114.635 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -41.84 -48.7 4.41 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.2 1.4 . . . . 0.0 112.88 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.42 -56.3 22.88 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.621 0.646 . . . . 0.0 109.985 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.13 -55.37 21.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.733 0.813 . . . . 0.0 109.203 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -51.68 -56.42 13.78 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 123.788 0.835 . . . . 0.0 111.908 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -49.86 -54.8 17.22 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.276 1.431 . . . . 0.0 111.787 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.47 -47.38 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.636 0.731 . . . . 0.0 109.764 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.85 -40.07 91.38 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.465 -169.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -71.9 -42.28 66.94 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 172.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -53.76 -50.44 66.02 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 123.576 0.75 . . . . 0.0 111.293 -175.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.6 t -98.64 -50.5 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 C-N-CA 123.816 0.847 . . . . 0.0 110.722 -171.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -103.17 -7.49 21.2 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 124.259 1.024 . . . . 0.0 112.716 -168.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.323 60.9 m-85 65.95 33.14 8.03 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.64 179.08 0.26 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.717 0.77 . . . . 0.0 112.705 157.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.8 p -129.79 -83.76 0.55 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.771 2.428 . . . . 0.0 107.22 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.3 m -77.49 171.27 15.16 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 167.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.95 156.3 8.3 Favored Glycine 0 C--N 1.33 0.225 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 -167.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -179.9 176.64 0.73 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -158.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 m -76.09 97.23 4.02 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 174.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.67 160.29 23.76 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 169.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -9.05 -62.07 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 129.992 3.317 . . . . 0.0 114.977 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.46 5.76 3.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.971 1.308 . . . . 0.0 112.857 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -163.54 -175.69 4.31 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 121.239 -0.913 . . . . 0.0 111.425 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.7 t -109.65 108.76 19.28 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 124.351 1.061 . . . . 0.0 111.61 -162.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -92.62 153.57 18.92 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.984 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 93.5 m -149.63 150.36 32.05 Favored 'General case' 0 N--CA 1.418 -2.061 0 O-C-N 125.211 1.569 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -128.36 122.49 31.61 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 128.123 2.569 . . . . 0.0 105.056 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.82 -14.63 37.92 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 117.362 -1.799 . . . . 0.0 113.453 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -32.8 101.44 0.02 OUTLIER 'General case' 0 C--N 1.35 0.621 0 C-N-CA 125.949 1.699 . . . . 0.0 110.366 175.551 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.55 -49.81 73.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.983 1.313 . . . . 0.0 109.253 -168.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -101.72 159.75 15.05 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 112.727 -2.033 . . . . 0.0 108.229 160.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -122.11 33.12 5.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.814 1.646 . . . . 0.0 110.658 -166.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -10.57 -64.88 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.129 1 C-N-CA 131.726 4.01 . . . . 0.0 114.216 -156.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -161.51 54.05 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.152 -1.386 . . . . 0.0 107.449 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 m -55.06 144.66 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-O 121.967 0.889 . . . . 0.0 112.408 -169.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.73 167.37 20.03 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 123.025 1.393 . . . . 0.0 109.43 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.32 132.98 43.35 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 112.823 -1.989 . . . . 0.0 109.765 -175.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -98.88 138.05 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 124.646 1.179 . . . . 0.0 108.969 178.251 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -71.64 147.08 47.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 168.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -40.31 95.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 122.924 1.345 . . . . 0.0 111.032 -168.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.66 82.68 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.765 170.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -41.77 68.0 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 118.89 0.768 . . . . 0.0 109.486 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -50.03 -61.07 2.36 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 125.32 1.448 . . . . 0.0 108.429 172.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -53.21 -54.83 30.31 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.587 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -49.0 -43.53 40.32 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 124.332 1.053 . . . . 0.0 111.153 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 91.1 m -109.64 40.09 1.96 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 112.216 -172.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -133.79 -53.53 0.87 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.582 1.537 . . . . 0.0 110.979 167.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.6 t -48.79 -31.94 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.003 1.321 . . . . 0.0 111.782 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -17.39 -61.08 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 129.641 3.176 . . . . 0.0 114.559 170.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.9 mm -67.78 -27.1 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 122.615 0.366 . . . . 0.0 111.65 -170.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.3 mt . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 176.731 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.571 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 39.3 mtpt . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.5 -157.86 0.66 Allowed 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.18 150.97 2.2 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.641 1.176 . . . . 0.0 110.236 167.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 -137.43 2.27 Favored Glycine 0 C--N 1.328 0.091 0 N-CA-C 107.721 -2.152 . . . . 0.0 107.721 156.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -111.43 135.48 51.93 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 118.647 1.224 . . . . 0.0 112.154 160.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.559 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -72.88 130.63 40.85 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 124.312 1.008 . . . . 0.0 109.311 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.526 HG11 HD13 ' A' ' 54' ' ' LEU . 27.9 m -138.22 153.05 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 160.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -93.72 -152.97 0.35 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.057 0.456 . . . . 0.0 111.617 -169.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -68.83 48.12 0.06 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.91 149.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 8' ' ' ASP . 65.4 p -141.09 -49.48 0.42 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 127.087 2.155 . . . . 0.0 109.697 175.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.52 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 82.33 12.09 81.14 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.932 1.253 . . . . 0.0 111.52 -165.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -91.5 132.24 36.4 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.094 0.947 . . . . 0.0 109.658 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.69 160.56 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.074 0.95 . . . . 0.0 109.422 168.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -86.25 127.56 34.78 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 158.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -70.18 -71.16 0.25 Allowed 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.163 0.985 . . . . 0.0 108.494 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.4 p 59.77 178.31 0.09 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 127.599 2.359 . . . . 0.0 116.042 160.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.85 -43.98 1.21 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.83 1.652 . . . . 0.0 111.653 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.89 116.43 11.18 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.108 -0.995 . . . . 0.0 112.986 -172.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -60.25 -53.82 53.1 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.894 0.877 . . . . 0.0 110.403 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -43.63 82.46 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.209 0.604 . . . . 0.0 110.683 -175.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -51.3 -55.46 18.2 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -50.76 72.52 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.458 -175.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -44.1 -49.44 8.9 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.026 1.331 . . . . 0.0 111.415 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.94 -51.2 70.26 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 121.827 -0.546 . . . . 0.0 111.191 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.8 mm -56.52 -54.0 33.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.581 1.153 . . . . 0.0 110.179 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 13.7 m -42.06 -55.86 3.04 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 128.505 2.722 . . . . 0.0 110.369 176.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 t -75.11 -33.23 61.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.053 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -52.51 -53.07 50.99 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 124.012 0.925 . . . . 0.0 112.289 -174.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -115.39 -44.34 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 123.654 0.781 . . . . 0.0 110.253 -165.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CD1' ' HB1' ' A' ' 6' ' ' ALA . 14.4 m-85 -89.0 -2.68 58.7 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.03 1.332 . . . . 0.0 111.388 -174.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.291 85.6 m-85 47.89 37.6 7.68 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.575 1.55 . . . . 0.0 112.226 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -61.54 173.34 0.97 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.839 0.828 . . . . 0.0 110.28 162.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -97.07 -91.22 0.25 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 166.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 m -85.73 -167.42 1.84 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.824 1.25 . . . . 0.0 110.346 176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.22 170.31 15.38 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -173.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -176.51 168.98 2.67 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.83 1.252 . . . . 0.0 109.167 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -76.55 89.06 3.28 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.3 t -59.47 159.43 8.19 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 168.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -9.7 -57.19 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.28 3.032 . . . . 0.0 115.572 175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.41 47.47 0.75 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.018 0.437 . . . . 0.0 110.73 168.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -162.06 170.21 19.62 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 120.923 -1.11 . . . . 0.0 110.381 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 t -103.0 95.73 6.33 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 122.023 0.916 . . . . 0.0 111.334 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.9 145.61 56.06 Favored 'General case' 0 CA--C 1.49 -1.338 0 CA-C-N 113.425 -1.716 . . . . 0.0 109.42 172.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.788 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.281 16.3 m -146.59 137.8 24.3 Favored 'General case' 0 N--CA 1.418 -2.065 0 O-C-N 126.049 2.093 . . . . 0.0 105.698 -174.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -103.71 134.01 47.75 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.249 0.931 . . . . 0.0 109.914 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.46 60.75 8.08 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 44' ' ' CYS . 3.7 mt -56.98 129.77 43.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 170.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -108.52 -62.45 1.46 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -169.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' CG ' ' HZ3' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -47.41 -61.85 1.72 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.526 -1.215 . . . . 0.0 107.762 157.529 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.571 ' HB3' ' CE ' ' A' ' 1' ' ' LYS . 52.2 t0 44.57 62.13 2.17 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 123.354 1.549 . . . . 0.0 109.227 175.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' HD2' ' H ' ' A' ' 51' ' ' LYS 0.282 0.0 OUTLIER -60.12 -31.74 70.35 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.741 -175.315 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.94 109.14 0.11 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.512 1.525 . . . . 0.0 108.431 154.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.488 ' CG1' HD12 ' A' ' 47' ' ' LEU . 9.9 m -53.43 149.75 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 119.889 1.222 . . . . 0.0 109.39 166.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.526 HD13 HG11 ' A' ' 7' ' ' VAL . 2.5 tp -67.09 166.46 13.82 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 123.929 1.823 . . . . 0.0 112.407 174.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -83.25 71.78 10.2 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 111.658 -2.519 . . . . 0.0 107.265 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.27 147.27 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.235 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.594 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -88.57 137.21 32.52 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 176.335 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.96 -45.17 86.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.96 1.362 . . . . 0.0 111.827 -159.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.1 77.66 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.748 172.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 46.1 p -72.75 -36.08 67.62 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 118.582 -1.247 . . . . 0.0 111.85 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -49.7 -58.62 4.94 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 125.45 1.5 . . . . 0.0 108.686 169.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.3 m -55.24 -51.92 65.07 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.788 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -53.44 -42.64 67.34 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.058 0.543 . . . . 0.0 111.417 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.9 m -106.28 29.15 7.06 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 125.107 1.363 . . . . 0.0 113.016 -168.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -124.86 -52.25 1.68 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.132 1.333 . . . . 0.0 111.281 169.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.5 t -52.16 -31.89 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 124.557 1.143 . . . . 0.0 112.01 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -20.4 -71.03 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 130.406 3.482 . . . . 0.0 113.429 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.6 -16.57 8.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 124.215 1.006 . . . . 0.0 110.885 -175.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 174.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.506 ' HD3' ' H1 ' ' A' ' 1' ' ' LYS . 3.3 mppt? . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HE3' HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -86.81 -33.39 19.89 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 58.34 98.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.412 2.285 . . . . 0.0 110.251 175.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.01 -159.76 11.14 Favored Glycine 0 N--CA 1.462 0.388 0 C-N-CA 125.899 1.714 . . . . 0.0 109.295 -165.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.421 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 3.9 m-30 -113.33 131.31 56.01 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 162.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . . . -108.96 133.41 52.99 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 119.647 -0.821 . . . . 0.0 112.263 -167.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.474 ' CB ' ' HA2' ' A' ' 11' ' ' GLY . 34.4 m -149.55 150.12 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 126.698 1.999 . . . . 0.0 105.871 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.29 -66.73 0.33 Allowed 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 126.162 1.785 . . . . 0.0 112.107 -168.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 t -168.27 36.55 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 126.438 1.895 . . . . 0.0 107.381 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.7 p -162.61 -73.11 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -174.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.474 ' HA2' ' CB ' ' A' ' 7' ' ' VAL . . . 159.64 46.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 -177.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.91 73.87 2.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.712 1.256 . . . . 0.0 108.921 171.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.11 119.58 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 121.925 0.869 . . . . 0.0 110.379 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -79.52 68.3 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.046 0.938 . . . . 0.0 109.435 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 175.17 2.76 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.195 171.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.9 p 157.69 175.29 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 128.656 2.782 . . . . 0.0 111.03 -172.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' H ' HD23 ' A' ' 17' ' ' LEU . 1.8 pt? -94.18 -42.75 8.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.15 0.98 . . . . 0.0 111.167 160.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.4 71.16 5.95 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.181 -0.95 . . . . 0.0 112.033 -171.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -7.56 -56.57 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 129.093 2.957 . . . . 0.0 116.892 168.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -50.28 -38.57 41.81 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.147 1.379 . . . . 0.0 112.077 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -52.07 -52.89 48.3 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.766 0.426 . . . . 0.0 110.122 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -53.66 55.46 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -49.17 -56.65 8.56 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.419 1.088 . . . . 0.0 111.272 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -49.14 -58.73 4.48 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 124.706 1.202 . . . . 0.0 111.321 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.1 mm -57.55 -41.22 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 6' ' ' ALA 0.267 0.9 OUTLIER -65.83 -41.59 91.6 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 120.434 -0.506 . . . . 0.0 112.054 -166.561 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -71.46 -48.78 47.11 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 170.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.66 -50.29 60.67 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.626 1.17 . . . . 0.0 111.908 -170.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -97.17 -52.61 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.517 0 C-N-CA 125.288 1.435 . . . . 0.0 109.674 -172.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -104.57 0.25 28.45 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -165.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.281 99.1 m-85 54.03 46.47 25.43 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HB2' HD23 ' A' ' 47' ' ' LEU . . . -61.47 176.75 0.45 Allowed 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.818 139.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.9 p -109.3 -30.64 7.9 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.563 1.945 . . . . 0.0 110.82 161.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.76 -164.18 1.95 Allowed 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.46 -0.775 . . . . 0.0 110.095 174.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 175.71 20.21 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 -165.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -171.81 165.61 6.51 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.427 1.491 . . . . 0.0 108.109 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 81.5 m -75.64 85.35 2.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.9 t -68.65 167.91 14.19 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.342 1.057 . . . . 0.0 108.322 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -3.98 -55.92 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 131.008 3.723 . . . . 0.0 116.676 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.23 29.87 0.44 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 172.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' HB2' ' CE2' ' A' ' 5' ' ' TYR . 4.3 m -170.48 171.21 6.58 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.156 -0.965 . . . . 0.0 110.63 -173.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.3 t -95.84 100.82 12.48 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.02 152.72 44.88 Favored 'General case' 0 CA--C 1.482 -1.671 0 O-C-N 125.394 1.684 . . . . 0.0 108.975 167.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.821 ' HB3' HD21 ' A' ' 47' ' ' LEU . 94.8 m -152.21 116.08 4.87 Favored 'General case' 0 N--CA 1.404 -2.733 0 O-C-N 126.066 2.104 . . . . 0.0 107.865 -171.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -86.21 143.9 27.73 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.782 1.633 . . . . 0.0 108.741 171.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.21 2.81 79.82 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 117.965 -1.464 . . . . 0.0 114.212 171.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.821 HD21 ' HB3' ' A' ' 44' ' ' CYS . 7.4 mt -40.82 123.53 1.93 Allowed 'General case' 0 C--N 1.344 0.346 0 CA-C-N 118.483 1.142 . . . . 0.0 112.051 -173.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -117.52 -64.55 1.29 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 124.468 1.107 . . . . 0.0 110.276 -170.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -63.45 -39.67 95.08 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.684 1.194 . . . . 0.0 109.811 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 t0 56.96 47.43 17.69 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 123.163 1.458 . . . . 0.0 110.929 163.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -37.29 -66.07 0.26 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.812 2.045 . . . . 0.0 112.634 -168.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.38 64.31 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 -172.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.404 HG21 ' HE3' ' A' ' 2' ' ' LYS . 27.2 m -64.08 154.72 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.496 -167.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.05 168.29 10.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 123.02 1.391 . . . . 0.0 110.303 169.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -115.22 118.27 32.84 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 127.584 2.354 . . . . 0.0 106.391 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.5 pt -113.97 140.24 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.779 0.323 . . . . 0.0 110.371 -159.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.05 145.47 46.37 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.213 0.605 . . . . 0.0 109.671 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -58.05 -51.88 67.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 122.227 1.013 . . . . 0.0 109.899 -173.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.29 -37.92 50.03 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.265 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.57 -43.16 70.03 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.889 0.768 . . . . 0.0 109.345 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -59.92 3.68 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -50.81 -52.45 41.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.656 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -53.98 -44.02 70.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.501 0.721 . . . . 0.0 110.899 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.6 m -108.01 26.89 9.83 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.391 1.076 . . . . 0.0 113.17 -168.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -100.32 -73.55 0.63 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.666 1.121 . . . . 0.0 110.62 175.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.9 t -56.19 -27.23 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.81 1.644 . . . . 0.0 112.554 -169.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -28.61 -67.29 0.07 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 128.981 2.912 . . . . 0.0 112.793 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.87 -39.88 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 124.085 0.954 . . . . 0.0 109.052 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 171.388 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.8 pttm . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 122.243 1.02 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.437 ' HG3' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -116.97 -162.72 0.87 Allowed 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 169.678 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.485 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 33.6 p-10 -126.92 142.67 51.49 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.177 1.391 . . . . 0.0 108.082 166.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.99 168.57 40.88 Favored Glycine 0 CA--C 1.521 0.461 0 O-C-N 121.288 -0.883 . . . . 0.0 112.872 -155.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.503 ' CD2' HG22 ' A' ' 56' ' ' ILE . 4.0 m-30 -83.11 102.84 12.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.609 1.163 . . . . 0.0 109.943 171.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.33 136.97 34.91 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 123.766 0.666 . . . . 0.0 109.45 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.498 ' CB ' ' HA2' ' A' ' 11' ' ' GLY . 21.1 m -135.63 151.29 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -1.08 -77.92 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 128.098 2.559 . . . . 0.0 113.595 159.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t 174.92 -42.04 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 131.31 3.844 . . . . 0.0 105.419 -168.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.4 t -89.56 -61.57 1.67 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.887 1.275 . . . . 0.0 109.118 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.498 ' HA2' ' CB ' ' A' ' 7' ' ' VAL . . . 162.62 27.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 117.135 1.614 . . . . 0.0 117.135 -174.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 83.86 2.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.293 1.547 . . . . 0.0 108.065 173.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.1 m -57.05 122.99 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -83.41 57.98 4.29 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.82 -0.55 . . . . 0.0 109.605 -176.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -33.01 -82.2 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.801 2.441 . . . . 0.0 113.65 -166.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 71.84 166.99 0.31 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.151 1.78 . . . . 0.0 114.818 175.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.61 -55.12 2.51 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.46 1.504 . . . . 0.0 110.904 166.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.36 83.71 5.36 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.708 -1.245 . . . . 0.0 111.781 -171.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -12.52 -56.61 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 129.51 3.124 . . . . 0.0 116.319 171.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -39.39 -47.23 1.75 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.527 1.131 . . . . 0.0 112.102 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -53.56 -46.24 70.2 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.832 0.853 . . . . 0.0 111.669 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -49.21 74.17 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -41.32 58.52 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.331 0.514 . . . . 0.0 111.264 174.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.34 -57.46 12.9 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 121.667 -0.645 . . . . 0.0 111.452 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.58 -47.32 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 O-C-N 121.78 -0.575 . . . . 0.0 110.142 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.531 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 24.2 m -43.8 -58.69 2.59 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 127.469 2.308 . . . . 0.0 110.904 175.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -69.59 -42.42 74.48 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.227 -0.989 . . . . 0.0 110.42 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.01 -44.44 82.83 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.879 0.872 . . . . 0.0 111.828 -173.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.7 t -104.95 -43.81 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.157 0 C-N-CA 125.245 1.418 . . . . 0.0 111.019 -169.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -104.36 -9.35 18.55 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.117 0.967 . . . . 0.0 112.038 -170.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.266 28.7 m-85 62.57 29.06 16.95 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.743 1.217 . . . . 0.0 112.621 -178.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -69.83 150.75 46.5 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.203 0.525 . . . . 0.0 110.768 168.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.9 p -84.15 -32.27 24.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.068 1.747 . . . . 0.0 110.659 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.3 t -148.06 -168.5 3.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.448 1.099 . . . . 0.0 108.895 177.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.68 169.14 13.61 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 -166.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -175.29 175.13 2.26 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -173.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 71.1 m -93.55 87.19 5.44 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 -171.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 40.4 t -69.04 164.55 22.16 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.647 1.579 . . . . 0.0 109.38 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tp -10.75 -59.11 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 129.466 3.106 . . . . 0.0 115.233 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -153.2 39.38 0.51 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.534 1.134 . . . . 0.0 109.291 174.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -161.89 175.12 12.21 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 120.62 -1.3 . . . . 0.0 110.942 -174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.5 t -112.33 110.29 20.43 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.499 0.666 . . . . 0.0 111.969 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -87.6 149.23 24.45 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.44 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 85.3 m -135.97 161.29 36.06 Favored 'General case' 0 N--CA 1.423 -1.802 0 C-N-CA 126.353 1.861 . . . . 0.0 108.416 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 70.7 m-85 -128.05 132.01 49.09 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 126.268 1.827 . . . . 0.0 108.435 170.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.28 42.14 10.91 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.857 1.217 . . . . 0.0 111.835 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.68 ' H ' HD12 ' A' ' 47' ' ' LEU . 2.8 mp -67.41 78.98 0.16 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 119.087 1.444 . . . . 0.0 108.616 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.85 -48.87 72.75 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.49 1.116 . . . . 0.0 109.253 -176.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' OD2' ' NZ ' ' A' ' 51' ' ' LYS . 9.1 t0 -64.4 -62.12 1.8 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 113.689 -1.596 . . . . 0.0 111.07 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' OD1' HG13 ' A' ' 53' ' ' VAL . 38.0 t0 39.12 88.25 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.671 2.389 . . . . 0.0 112.792 -176.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' A' ' 49' ' ' ASP . 1.8 mptp? -58.04 -52.89 63.64 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 112.476 -2.147 . . . . 0.0 109.885 173.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -179.1 70.07 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.454 1.101 . . . . 0.0 109.741 -173.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.67 HG11 HD22 ' A' ' 47' ' ' LEU . 19.9 m -59.59 151.02 5.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 119.023 -1.071 . . . . 0.0 112.391 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.12 170.76 13.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.786 1.279 . . . . 0.0 111.975 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -109.66 121.87 46.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.687 2.395 . . . . 0.0 105.421 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.503 HG22 ' CD2' ' A' ' 5' ' ' TYR . 16.9 pt -122.21 145.66 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -158.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.72 146.29 26.29 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 122.984 0.513 . . . . 0.0 109.833 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -56.07 -56.77 16.84 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.03 -35.76 26.15 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.148 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -40.91 64.22 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.908 0.777 . . . . 0.0 109.896 177.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -57.73 11.07 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 119.078 0.854 . . . . 0.0 109.0 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.5 m -55.81 -45.27 78.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.267 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -59.07 -45.27 91.23 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 122.31 -0.244 . . . . 0.0 110.596 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.2 m -111.41 42.09 1.75 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.923 1.289 . . . . 0.0 112.821 -168.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -117.43 -69.33 0.86 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 119.257 0.935 . . . . 0.0 110.437 165.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.42 -19.94 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.415 1.486 . . . . 0.0 112.998 -170.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -29.79 -61.97 0.14 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 128.723 2.809 . . . . 0.0 114.073 -176.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.0 mm -68.26 -30.17 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 122.786 0.435 . . . . 0.0 111.43 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 175.399 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? . . . . . 0 N--CA 1.443 -0.822 0 CA-C-O 119.151 -0.452 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.417 ' HD2' HG11 ' A' ' 53' ' ' VAL . 13.2 ptpt -118.08 -160.22 0.78 Allowed 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 169.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.414 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 26.1 m-20 -125.32 149.15 48.35 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 104.829 -2.285 . . . . 0.0 104.829 159.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.36 171.16 44.15 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 119.441 1.019 . . . . 0.0 111.901 -169.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -82.91 123.56 29.52 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 122.948 0.499 . . . . 0.0 110.345 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.33 141.29 28.88 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.497 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 5.8 m -121.69 160.13 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 C-N-CA 123.572 0.749 . . . . 0.0 110.413 168.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -170.85 0.11 Allowed 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.246 1.418 . . . . 0.0 113.858 -167.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 t -76.8 48.93 0.6 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 113.236 -1.802 . . . . 0.0 108.97 159.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 m -170.89 -38.18 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 127.112 2.165 . . . . 0.0 110.011 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.497 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 108.08 2.39 33.88 Favored Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 124.509 1.052 . . . . 0.0 112.069 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -67.75 149.36 50.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.792 1.296 . . . . 0.0 107.923 165.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.86 -177.01 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 162.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.7 m -118.92 144.18 46.58 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 149.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -75.05 0.13 Allowed 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.96 1.704 . . . . 0.0 107.074 175.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.28 12.6 p 66.77 154.31 0.09 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 128.987 2.915 . . . . 0.0 113.863 -176.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.9 mt -109.64 -51.27 2.89 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.797 1.239 . . . . 0.0 108.48 174.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.12 106.47 17.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.322 0.649 . . . . 0.0 109.975 -177.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -35.18 -43.68 0.23 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.478 1.511 . . . . 0.0 113.365 170.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -48.88 -45.27 40.85 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.807 1.243 . . . . 0.0 111.75 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.44 -53.78 49.53 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 176.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -56.69 -49.99 73.47 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.523 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -61.68 -51.34 68.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.41 -177.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -50.9 -53.89 28.73 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 123.424 0.689 . . . . 0.0 111.796 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -58.28 -47.49 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-O 121.548 0.689 . . . . 0.0 109.659 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -39.34 78.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.3 -166.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 t -67.05 -42.69 84.34 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 170.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -54.87 -46.3 74.71 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 121.741 -0.599 . . . . 0.0 111.667 -176.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.3 t -105.57 -42.32 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 124.211 1.004 . . . . 0.0 111.71 -167.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -110.85 3.7 19.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.025 1.33 . . . . 0.0 111.662 -170.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.269 33.3 m-85 55.85 27.98 11.75 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 125.07 1.348 . . . . 0.0 113.976 176.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.58 148.69 23.33 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 122.881 0.472 . . . . 0.0 111.192 168.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.2 t -100.06 -11.29 20.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.745 1.618 . . . . 0.0 112.168 170.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -157.19 -167.29 2.28 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.553 1.07 . . . . 0.0 109.026 168.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.39 -175.82 27.49 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 108.134 -1.986 . . . . 0.0 108.134 -170.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 169.14 174.2 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 125.374 1.469 . . . . 0.0 108.835 178.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.3 m -78.2 87.3 4.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -74.34 161.92 29.39 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -7.12 -62.53 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 130.171 3.389 . . . . 0.0 114.976 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.0 mt -131.18 1.2 4.2 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.116 1.366 . . . . 0.0 112.813 -174.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -159.88 151.08 19.5 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 120.992 -1.068 . . . . 0.0 112.826 -170.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 119.75 8.68 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.278 1.031 . . . . 0.0 112.547 169.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -99.16 156.31 17.02 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 126.169 1.788 . . . . 0.0 109.313 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.3 m -140.1 159.83 41.31 Favored 'General case' 0 N--CA 1.416 -2.14 0 C-N-CA 124.877 1.271 . . . . 0.0 108.407 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -129.05 133.02 47.54 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.549 1.94 . . . . 0.0 106.339 171.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.82 37.11 13.88 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.06 1.314 . . . . 0.0 113.009 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 47' ' ' LEU . 2.7 mp -66.54 107.89 2.23 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 118.616 1.208 . . . . 0.0 108.831 -177.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -1.56 -85.24 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 128.289 2.635 . . . . 0.0 112.025 171.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -127.9 -174.83 3.3 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.02 1.328 . . . . 0.0 109.296 156.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -82.19 63.57 6.45 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 124.171 1.938 . . . . 0.0 108.979 171.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -35.75 65.3 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 112.89 -1.959 . . . . 0.0 110.517 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 173.42 73.97 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.966 2.106 . . . . 0.0 108.418 163.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.417 HG11 ' HD2' ' A' ' 2' ' ' LYS . 7.1 m -73.09 166.18 2.75 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 C-N-CA 118.396 -1.322 . . . . 0.0 110.889 176.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.5 mp -95.4 166.67 11.76 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 124.056 1.884 . . . . 0.0 113.035 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -85.01 73.38 10.69 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 111.714 -2.494 . . . . 0.0 110.418 -166.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 56' ' ' ILE . 2.2 pt -49.24 132.72 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.571 168.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 151.13 35.17 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 176.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.5 -52.58 64.82 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 122.498 1.142 . . . . 0.0 110.196 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.19 -39.18 55.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.131 174.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -39.27 73.36 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 118.763 0.71 . . . . 0.0 109.282 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.44 -60.32 3.46 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 174.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 t -53.82 -45.11 70.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.055 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -60.3 -43.98 95.8 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.023 0.529 . . . . 0.0 111.32 176.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.8 m -117.34 29.05 8.11 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.214 1.406 . . . . 0.0 113.691 -165.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -117.67 -67.69 0.97 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 120.758 1.617 . . . . 0.0 110.646 172.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.2 t -52.75 -30.61 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.551 1.141 . . . . 0.0 112.563 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -23.29 -62.01 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 129.253 3.021 . . . . 0.0 114.436 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mm -68.96 -25.17 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 122.683 0.393 . . . . 0.0 111.559 -170.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.8 mt . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.068 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 N--CA 1.445 -0.68 0 CA-C-O 117.988 -1.006 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -89.77 -28.6 19.24 Favored 'General case' 0 C--N 1.346 0.456 0 CA-C-N 120.856 1.662 . . . . 0.0 110.178 -172.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 59.45 111.51 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 127.643 2.377 . . . . 0.0 107.688 -161.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.485 ' H ' ' HG ' ' A' ' 47' ' ' LEU . . . -135.79 -166.01 10.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 126.638 2.066 . . . . 0.0 108.467 -163.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.541 ' CE2' HG23 ' A' ' 56' ' ' ILE . 47.1 m-85 -119.12 136.82 53.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 119.042 -0.504 . . . . 0.0 110.023 168.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.22 141.61 39.72 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 123.708 0.63 . . . . 0.0 112.001 -171.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.5 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 12.2 m -138.9 161.04 29.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 C-N-CA 125.243 1.417 . . . . 0.0 108.666 171.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -71.01 179.47 2.74 Favored 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 124.284 1.033 . . . . 0.0 109.45 167.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.52 63.84 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.296 1.838 . . . . 0.0 108.282 157.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.48 -31.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.221 1.808 . . . . 0.0 111.115 -167.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.5 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 67.91 49.2 49.96 Favored Glycine 0 C--N 1.345 1.047 0 CA-C-N 119.388 0.995 . . . . 0.0 112.361 167.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -126.98 103.68 7.6 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.441 1.096 . . . . 0.0 108.376 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.59 162.75 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.111 0.481 . . . . 0.0 110.33 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 m -90.56 134.06 34.64 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 153.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -111.8 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 164.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 89.49 149.1 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 127.952 2.501 . . . . 0.0 113.363 172.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -96.42 -34.83 11.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.642 1.177 . . . . 0.0 111.523 171.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.23 66.92 5.89 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.132 -0.98 . . . . 0.0 111.228 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -3.97 -67.98 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 129.58 3.152 . . . . 0.0 116.058 174.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -57.32 -25.79 59.89 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 125.294 1.438 . . . . 0.0 112.45 -169.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -49.26 -48.72 45.61 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.205 0.457 . . . . 0.0 111.048 171.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -46.77 77.05 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.484 -173.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -44.65 -58.82 2.81 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.146 0.978 . . . . 0.0 110.906 169.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -49.73 -55.62 13.25 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.108 0.963 . . . . 0.0 111.5 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.9 mm -56.16 -43.08 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.015 0.526 . . . . 0.0 110.033 177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.318 0.5 OUTLIER -66.87 -36.33 82.06 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -170.003 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.71 -49.86 42.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.927 168.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.98 -50.62 70.33 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.307 1.043 . . . . 0.0 111.23 -170.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.9 t -94.08 -59.45 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 C-N-CA 125.489 1.516 . . . . 0.0 109.504 -172.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -88.59 -32.05 18.3 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 123.71 0.804 . . . . 0.0 112.466 -163.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.347 70.3 m-85 76.35 31.46 0.62 Allowed 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 126.817 2.047 . . . . 0.0 113.302 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.98 163.61 0.48 Allowed 'General case' 0 CA--C 1.54 0.59 0 O-C-N 122.134 -0.353 . . . . 0.0 111.295 144.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 p -86.09 -84.99 0.16 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.023 0.929 . . . . 0.0 108.729 170.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -89.99 -159.27 0.58 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.059 1.343 . . . . 0.0 109.619 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.41 -179.95 20.49 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 -172.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 p90 173.83 168.57 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 C-N-CA 125.385 1.474 . . . . 0.0 108.845 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.6 m -76.25 99.73 4.85 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 38.7 t -95.48 160.36 14.55 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.114 0.966 . . . . 0.0 109.599 -177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -15.98 -41.34 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.347 1 C-N-CA 132.119 4.168 . . . . 0.0 117.431 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.75 13.61 0.82 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 171.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.1 m -161.49 171.63 17.82 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 119.259 0.936 . . . . 0.0 110.911 -175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 t -95.03 104.69 16.57 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.32 1.048 . . . . 0.0 111.316 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -81.99 156.69 24.55 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 113.4 -1.727 . . . . 0.0 110.294 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.897 ' HB3' HD21 ' A' ' 47' ' ' LEU 0.295 89.2 m -161.66 125.39 3.23 Favored 'General case' 0 N--CA 1.407 -2.62 0 O-C-N 126.277 2.236 . . . . 0.0 105.242 -159.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -94.42 161.49 14.21 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 176.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.89 26.58 67.34 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 119.268 -0.74 . . . . 0.0 112.621 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.897 HD21 ' HB3' ' A' ' 44' ' ' CYS . 1.1 mt -66.03 113.48 4.49 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.237 1.518 . . . . 0.0 107.007 166.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -121.53 -64.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -165.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -53.34 153.72 3.77 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.673 -1.149 . . . . 0.0 108.751 147.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -125.69 93.53 3.87 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 124.471 2.081 . . . . 0.0 107.527 -172.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.41 52.59 0.49 Allowed 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 112.209 -2.268 . . . . 0.0 109.534 177.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 41.12 56.64 2.99 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 125.535 1.534 . . . . 0.0 109.589 -169.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.34 143.74 14.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.66 0.743 . . . . 0.0 110.818 -157.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 5' ' ' TYR . 3.9 mp -72.33 173.47 8.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.526 1.631 . . . . 0.0 113.61 -167.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -82.44 69.98 9.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 112.821 -1.991 . . . . 0.0 109.967 -164.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -57.08 138.54 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 157.459 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -101.7 151.03 22.51 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 105.015 -2.217 . . . . 0.0 105.015 169.633 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.8 -61.16 2.43 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 125.35 1.46 . . . . 0.0 109.91 -171.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.62 -38.95 64.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.828 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -33.62 72.32 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 118.983 0.81 . . . . 0.0 109.432 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -70.65 -50.93 31.57 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 103.776 -2.676 . . . . 0.0 103.776 -172.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.1 m -48.61 -57.59 6.0 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 117.879 0.309 . . . . 0.0 111.572 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.93 -42.38 48.29 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.887 1.275 . . . . 0.0 110.839 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 57.3 m -108.59 51.3 0.75 Allowed 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.402 1.481 . . . . 0.0 110.971 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -139.93 -51.59 0.5 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.314 1.415 . . . . 0.0 110.977 162.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.39 -35.25 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.807 1.243 . . . . 0.0 111.597 176.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -26.03 -67.25 0.05 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 129.453 3.101 . . . . 0.0 113.46 173.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.2 mm -85.4 -37.38 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 CA--C 1.532 0.254 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 171.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.76 -147.86 0.24 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -162.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.424 ' HA ' HD11 ' A' ' 47' ' ' LEU . 13.3 m-20 -134.15 136.76 44.03 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 165.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.66 178.04 44.92 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -169.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.852 ' CD2' HG22 ' A' ' 56' ' ' ILE . 14.3 m-30 -82.35 104.8 12.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 124.117 0.539 . . . . 0.0 110.146 173.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.23 150.79 33.39 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 m -130.48 163.17 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 121.074 0.464 . . . . 0.0 110.527 165.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.36 -163.8 0.99 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 122.797 1.284 . . . . 0.0 110.738 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -65.29 19.48 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 130.054 3.342 . . . . 0.0 113.084 169.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.6 t -151.21 -31.31 0.17 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.61 53.68 33.63 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 119.351 0.978 . . . . 0.0 112.635 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -103.88 157.14 17.29 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 147.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -109.32 136.23 45.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 123.443 0.697 . . . . 0.0 110.836 -171.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -86.18 93.23 8.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.08 -78.35 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.052 1.741 . . . . 0.0 110.001 169.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . 0.261 19.5 p 59.23 176.47 0.08 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 127.869 2.468 . . . . 0.0 114.083 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -125.38 -53.14 1.6 Allowed 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.0 1.32 . . . . 0.0 109.423 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.62 80.14 7.13 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.42 -0.8 . . . . 0.0 110.316 -171.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -16.31 -55.42 0.01 OUTLIER 'General case' 0 C--O 1.233 0.185 0 C-N-CA 129.711 3.204 . . . . 0.0 115.682 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -37.07 -51.62 0.96 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.337 1.055 . . . . 0.0 111.658 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -46.0 -54.49 8.29 Favored 'General case' 0 C--O 1.23 0.068 0 C-N-CA 124.896 1.279 . . . . 0.0 111.676 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -45.71 80.93 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -174.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -40.89 62.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.569 0.348 . . . . 0.0 111.041 171.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.05 -53.69 51.99 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 123.927 0.891 . . . . 0.0 109.99 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -59.33 -45.92 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 121.27 0.557 . . . . 0.0 109.965 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 23.1 m -49.29 -53.94 19.41 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.033 1.733 . . . . 0.0 110.973 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 t -73.6 -41.74 62.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.611 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -56.62 -49.14 75.85 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.769 0.827 . . . . 0.0 111.954 -171.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.81 -54.75 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.365 0 C-N-CA 125.624 1.57 . . . . 0.0 109.349 -169.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -84.51 -19.11 33.78 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 57.95 52.5 7.78 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.168 1.387 . . . . 0.0 111.729 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -94.5 136.26 35.0 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 125.19 1.396 . . . . 0.0 108.479 151.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -69.55 -22.89 63.51 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.524 1.13 . . . . 0.0 112.185 -176.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 m -149.61 -171.51 3.91 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.28 176.45 25.78 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 107.697 -2.161 . . . . 0.0 107.697 -169.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.89 172.96 1.6 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.174 0.589 . . . . 0.0 111.014 -177.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.4 m -79.66 83.2 5.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 126.425 1.89 . . . . 0.0 107.378 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -73.2 158.78 34.57 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.616 -0.678 . . . . 0.0 109.206 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.406 HD12 HG22 ' A' ' 60' ' ' THR . 77.0 mt -21.46 -44.36 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 130.237 3.415 . . . . 0.0 116.288 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.54 33.17 0.5 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.937 0.79 . . . . 0.0 112.438 168.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -166.81 -179.78 4.93 Favored 'General case' 0 C--N 1.339 0.13 0 O-C-N 121.282 -0.886 . . . . 0.0 110.64 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.1 t -107.69 104.28 13.76 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.536 1.134 . . . . 0.0 110.781 -171.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -75.99 146.86 39.23 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 113.718 -1.583 . . . . 0.0 108.589 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.42 ' HB3' ' CB ' ' A' ' 32' ' ' ALA . 53.7 m -140.49 142.92 35.25 Favored 'General case' 0 N--CA 1.422 -1.843 0 O-C-N 125.763 1.914 . . . . 0.0 106.963 176.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -115.82 119.61 36.57 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 127.321 2.248 . . . . 0.0 108.928 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.473 ' N ' HD12 ' A' ' 47' ' ' LEU . . . 103.67 -6.94 49.29 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 117.383 -1.787 . . . . 0.0 114.716 171.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -11.35 87.04 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.345 3.058 . . . . 0.0 112.446 170.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -19.79 -84.41 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 129.294 3.038 . . . . 0.0 112.149 174.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.421 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 28.2 t70 -77.83 153.47 32.72 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 141.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.55 -38.21 71.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.899 2.48 . . . . 0.0 112.835 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 55.6 53.51 9.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 127.026 2.13 . . . . 0.0 110.457 -167.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 38.86 64.51 0.77 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 126.948 2.099 . . . . 0.0 111.456 172.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 m -56.64 144.04 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-O 122.073 0.939 . . . . 0.0 111.691 -169.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.96 168.0 8.84 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 123.71 1.719 . . . . 0.0 111.952 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -80.21 71.28 6.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 112.458 -2.156 . . . . 0.0 107.421 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.852 HG22 ' CD2' ' A' ' 5' ' ' TYR . 38.5 pt -66.52 135.41 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -172.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -77.94 149.89 34.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.34 -60.63 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.257 1.027 . . . . 0.0 110.446 -171.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.52 -43.3 55.88 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.054 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.406 HG22 HD12 ' A' ' 39' ' ' LEU . 32.1 p -68.99 -36.55 77.98 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 118.234 -0.888 . . . . 0.0 112.315 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -60.24 -51.0 71.42 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t -53.47 -53.45 51.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.367 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -54.43 -42.67 70.8 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.532 0.733 . . . . 0.0 111.328 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 81.7 m -110.75 35.34 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.197 1.399 . . . . 0.0 112.735 -169.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -136.29 -51.88 0.71 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.499 1.499 . . . . 0.0 110.973 173.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.9 t -55.59 -29.96 25.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.244 1.017 . . . . 0.0 111.683 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -27.69 -71.08 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 129.53 3.132 . . . . 0.0 113.074 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.6 mt -87.49 -39.62 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 123.721 0.808 . . . . 0.0 108.929 -175.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 170.381 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.3 mttp . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 121.643 0.735 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.31 -165.35 1.53 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -169.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.505 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 47.4 p-10 -121.76 145.0 48.47 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 119.745 1.157 . . . . 0.0 108.533 164.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.69 167.9 38.57 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -158.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -78.86 100.3 7.13 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.472 0.709 . . . . 0.0 109.389 171.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.9 134.25 45.92 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.461 -175.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.2 m -138.06 159.2 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 163.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.6 -160.38 0.79 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 124.656 1.223 . . . . 0.0 111.383 -177.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -69.72 43.08 0.05 Allowed 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.067 -1.424 . . . . 0.0 111.4 160.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -142.64 -57.58 0.44 Allowed 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.009 -1.057 . . . . 0.0 110.384 166.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.83 34.49 53.04 Favored Glycine 0 C--N 1.334 0.432 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 165.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 18.9 tttp -86.13 149.11 25.35 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 138.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.6 m -61.93 131.36 27.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-O 121.019 0.438 . . . . 0.0 110.958 168.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.2 m -78.15 68.03 4.09 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.711 1.205 . . . . 0.0 108.383 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 3.8 tt0 -46.97 -75.46 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.018 2.527 . . . . 0.0 112.889 -157.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 60.77 166.42 0.08 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.935 1.694 . . . . 0.0 115.062 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.08 -43.33 3.1 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.575 1.55 . . . . 0.0 110.945 166.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.22 80.34 4.64 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.813 -1.18 . . . . 0.0 111.229 -174.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -19.91 -47.93 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.328 3.051 . . . . 0.0 116.357 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -43.36 -46.84 6.67 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.078 0.951 . . . . 0.0 111.964 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -47.43 -55.06 9.73 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.116 0.966 . . . . 0.0 110.488 174.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.1 t -56.14 -52.69 63.44 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -176.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -54.75 -57.24 12.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.153 0.581 . . . . 0.0 109.648 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -48.93 -56.88 7.53 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 124.996 1.318 . . . . 0.0 112.348 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.55 -44.63 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.677 0.791 . . . . 0.0 109.618 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -41.54 75.14 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.693 -169.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 t -64.98 -40.62 95.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.607 170.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -58.77 -45.53 89.58 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.587 -0.695 . . . . 0.0 111.444 -175.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.9 t -103.59 -54.42 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 124.605 1.162 . . . . 0.0 110.764 -172.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -89.92 -20.01 23.86 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.449 1.1 . . . . 0.0 111.829 -167.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.318 96.5 m-85 67.76 30.6 6.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.691 1.996 . . . . 0.0 112.285 -174.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.21 133.22 35.99 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 168.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 t -73.23 -30.8 63.74 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.999 0.92 . . . . 0.0 111.107 -173.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 t -144.11 -163.45 1.68 Allowed 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.015 -0.428 . . . . 0.0 109.868 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.5 -172.18 29.54 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 107.751 -2.14 . . . . 0.0 107.751 -165.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 173.59 165.87 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.518 1.127 . . . . 0.0 108.838 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.6 m -88.67 83.03 6.75 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.2 t -59.2 160.86 5.92 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.692 1.597 . . . . 0.0 109.245 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 mt -7.0 -58.46 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.698 3.199 . . . . 0.0 115.839 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.62 44.1 0.59 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.66 167.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -160.29 169.35 23.36 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 120.93 -1.106 . . . . 0.0 110.01 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.03 105.9 14.42 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.687 0.756 . . . . 0.0 109.989 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.67 154.86 24.67 Favored 'General case' 0 CA--C 1.498 -1.023 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.317 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 92.9 m -142.25 159.94 41.23 Favored 'General case' 0 N--CA 1.419 -1.988 0 C-N-CA 124.862 1.265 . . . . 0.0 108.454 172.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -127.34 106.8 9.46 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 126.307 1.843 . . . . 0.0 109.232 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.81 43.66 1.29 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.498 1.999 . . . . 0.0 111.78 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.607 ' H ' HD12 ' A' ' 47' ' ' LEU . 3.5 mp -73.38 72.25 1.31 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 118.941 1.37 . . . . 0.0 109.248 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.03 -50.83 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 122.083 0.944 . . . . 0.0 109.316 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -45.78 -64.32 0.76 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.326 2.65 . . . . 0.0 113.229 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' OD1' HG13 ' A' ' 53' ' ' VAL . 60.3 t0 20.21 78.38 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 127.944 2.497 . . . . 0.0 113.431 -175.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -57.32 -50.02 74.27 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 111.698 -2.501 . . . . 0.0 109.675 172.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -176.67 65.26 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.105 0.962 . . . . 0.0 110.593 -172.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 47' ' ' LEU . 12.4 m -52.3 145.74 2.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.567 0.698 . . . . 0.0 111.848 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.7 162.88 25.15 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 123.823 1.773 . . . . 0.0 110.779 175.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -96.78 83.73 3.48 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 111.538 -2.574 . . . . 0.0 105.397 -164.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.28 143.21 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.815 -174.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.578 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -81.09 136.09 35.89 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 170.72 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -71.72 -49.39 39.74 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.592 -158.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.57 14.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.756 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.2 p -73.25 -25.35 60.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 117.174 -1.393 . . . . 0.0 112.328 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -50.36 73.85 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 121.139 1.791 . . . . 0.0 107.902 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 t -53.72 -53.32 53.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.202 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -55.1 -46.15 75.52 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.748 0.308 . . . . 0.0 111.36 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 89.7 m -107.17 39.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.183 1.393 . . . . 0.0 112.661 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -128.84 -61.96 1.03 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.829 1.195 . . . . 0.0 111.911 171.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.1 t -56.49 -27.04 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.257 1.023 . . . . 0.0 111.864 -175.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -18.3 -63.69 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 130.249 3.42 . . . . 0.0 114.47 175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.75 -29.52 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 122.719 0.407 . . . . 0.0 111.463 -170.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' O ' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -171.59 143.28 1.72 Allowed 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -159.117 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -46.5 140.92 3.96 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 122.047 0.927 . . . . 0.0 112.628 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.84 168.09 40.21 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -165.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.599 ' CG ' HG22 ' A' ' 56' ' ' ILE . 1.2 m-30 -81.4 116.66 21.33 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -74.82 142.23 44.22 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 175.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 18.0 m -145.67 170.07 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 C-N-CA 125.054 1.342 . . . . 0.0 107.899 173.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -35.5 -75.04 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.065 2.146 . . . . 0.0 112.379 168.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t 168.46 -48.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 131.152 3.781 . . . . 0.0 104.985 -164.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.6 t -73.34 -45.23 56.41 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.108 0.963 . . . . 0.0 109.642 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 135.77 38.65 0.17 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.202 1.382 . . . . 0.0 113.538 173.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -75.87 78.05 2.78 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.803 -0.822 . . . . 0.0 108.866 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 m -58.01 141.35 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 122.661 0.384 . . . . 0.0 110.95 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.6 m -100.57 136.54 40.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 166.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -126.41 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 162.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 102.36 159.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 130.008 3.323 . . . . 0.0 112.696 176.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.7 -42.69 5.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.944 1.298 . . . . 0.0 110.688 169.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.23 76.11 3.03 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.006 -1.059 . . . . 0.0 111.032 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -33.2 -39.28 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 127.872 2.469 . . . . 0.0 114.281 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -39.26 -49.89 1.94 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.755 1.622 . . . . 0.0 112.139 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.58 -53.62 44.15 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.733 0.813 . . . . 0.0 109.854 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.7 t -57.65 -53.77 54.47 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -49.89 -53.85 23.32 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.301 1.44 . . . . 0.0 110.814 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.77 -53.93 50.6 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 122.967 0.507 . . . . 0.0 112.073 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -58.56 -44.26 88.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.436 0.636 . . . . 0.0 110.052 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.0 m -53.47 -48.44 68.86 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 127.0 2.12 . . . . 0.0 110.272 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.3 p -68.45 -52.88 27.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 119.176 -1.01 . . . . 0.0 110.037 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -55.82 -53.22 59.34 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.126 1.37 . . . . 0.0 111.651 -164.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.1 t -89.69 -45.55 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.178 0 C-N-CA 124.455 1.102 . . . . 0.0 109.688 -170.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -103.52 -18.43 14.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -165.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.282 8.0 m-85 77.92 20.1 1.04 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.555 1.542 . . . . 0.0 114.21 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.15 165.76 0.65 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 162.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -99.06 -25.5 14.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.931 1.292 . . . . 0.0 110.874 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 p -157.35 -170.17 3.15 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.322 -0.861 . . . . 0.0 109.562 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.75 167.95 19.45 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 107.228 -2.349 . . . . 0.0 107.228 -171.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -173.54 162.27 4.17 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 124.091 0.956 . . . . 0.0 109.041 -172.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.9 m -88.81 91.83 8.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.6 m -73.47 179.41 4.05 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -12.02 -60.2 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 130.521 3.529 . . . . 0.0 114.25 -177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.69 41.41 0.53 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.151 0.58 . . . . 0.0 109.859 168.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -169.64 138.41 1.88 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.56 -0.712 . . . . 0.0 110.563 -162.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 115.86 28.28 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.333 1.053 . . . . 0.0 111.455 -169.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.89 153.97 27.31 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.932 0.893 . . . . 0.0 109.088 172.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 47' ' ' LEU . 57.8 m -134.1 158.05 44.59 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 163.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -118.55 104.44 10.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.124 1.77 . . . . 0.0 108.989 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.59 9.23 72.42 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 119.764 -0.464 . . . . 0.0 113.457 174.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -42.21 161.4 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.817 0.818 . . . . 0.0 112.241 154.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -56.29 161.9 2.31 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 123.66 1.695 . . . . 0.0 109.519 156.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -98.15 -39.0 9.1 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 129.648 3.179 . . . . 0.0 108.895 178.262 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -49.1 -30.81 6.99 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.81 2.044 . . . . 0.0 112.745 -176.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -85.68 57.04 4.24 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 30.52 59.7 0.22 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 128.455 2.702 . . . . 0.0 113.22 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.8 m -62.2 131.96 27.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.222 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.19 166.41 23.5 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.373 1.558 . . . . 0.0 111.708 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -92.28 103.75 16.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 112.032 -2.349 . . . . 0.0 106.627 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.599 HG22 ' CG ' ' A' ' 5' ' ' TYR . 23.4 pt -79.6 150.26 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -174.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' HE3' ' H ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -81.63 156.77 24.96 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 108.066 -1.086 . . . . 0.0 108.066 -173.027 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -57.23 -63.38 1.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.808 0.843 . . . . 0.0 110.26 -177.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.16 -40.74 24.8 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.768 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.8 p -72.69 -35.85 67.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 118.162 -0.923 . . . . 0.0 112.469 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -56.47 -53.86 52.48 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 120.575 1.534 . . . . 0.0 109.767 167.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 m -58.35 -40.85 83.32 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.571 -0.705 . . . . 0.0 112.327 -176.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.27 -51.47 68.04 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.584 0.707 . . . . 0.0 110.113 167.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -121.72 34.23 5.25 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.346 1.059 . . . . 0.0 113.392 -154.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -123.72 -59.96 1.49 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.73 1.212 . . . . 0.0 109.54 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -49.35 -33.56 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 126.032 1.733 . . . . 0.0 112.094 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -18.25 -69.31 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 129.556 3.142 . . . . 0.0 112.798 172.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.1 mt -101.78 -38.8 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 125.536 1.535 . . . . 0.0 108.54 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 171.734 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.6 tttm . . . . . 0 CA--C 1.516 -0.352 0 CA-C-O 122.819 1.295 . . . . 0.0 108.646 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.482 ' HD2' HG21 ' A' ' 53' ' ' VAL . 8.5 ptpp? -139.45 -158.58 0.87 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 112.419 -2.173 . . . . 0.0 110.025 -146.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.571 ' HA ' HD13 ' A' ' 47' ' ' LEU . 24.7 p-10 -114.75 150.12 35.85 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 126.659 1.984 . . . . 0.0 106.422 147.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.54 166.47 36.89 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -163.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.483 ' CD2' HG22 ' A' ' 56' ' ' ILE . 3.3 m-30 -74.92 108.27 7.54 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 165.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.57 144.37 27.94 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.81 160.21 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -90.84 -149.5 0.22 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 168.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -74.45 -4.01 34.11 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.335 1.054 . . . . 0.0 111.545 168.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 p -80.02 -58.78 2.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.384 1.474 . . . . 0.0 109.87 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.05 36.92 69.14 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 125.609 1.576 . . . . 0.0 112.792 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -108.46 107.53 18.11 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 159.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -62.75 136.64 25.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 121.07 0.462 . . . . 0.0 110.93 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.6 m -72.99 84.43 1.26 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 171.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -42.78 -71.7 0.08 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.551 1.54 . . . . 0.0 110.882 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.32 145.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.184 2.193 . . . . 0.0 116.351 168.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 pp -97.02 -42.38 7.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.552 1.141 . . . . 0.0 111.742 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.09 70.56 9.04 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 120.862 -1.149 . . . . 0.0 111.19 -171.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -10.96 -61.6 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.78 2.832 . . . . 0.0 116.456 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -43.12 -41.02 3.47 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.658 1.583 . . . . 0.0 112.715 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -39.23 -53.92 1.85 Allowed 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.096 0.958 . . . . 0.0 111.196 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 m -66.81 -52.56 42.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -169.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -43.32 -57.15 3.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.221 1.008 . . . . 0.0 111.678 170.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -54.98 -56.21 22.21 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 124.891 1.276 . . . . 0.0 111.365 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.2 mm -53.29 -45.46 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.791 0.837 . . . . 0.0 109.282 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -42.03 86.62 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -170.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 t -71.55 -30.34 65.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.937 -0.554 . . . . 0.0 111.026 171.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.43 -49.12 65.09 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.044 0.838 . . . . 0.0 110.671 -175.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -99.67 -55.24 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 C-N-CA 125.312 1.445 . . . . 0.0 110.404 -168.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -95.0 -19.96 19.75 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.109 0.963 . . . . 0.0 112.44 -169.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.263 39.2 m-85 74.28 33.88 0.86 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.048 1.739 . . . . 0.0 112.797 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.36 132.97 43.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 164.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -69.45 -25.58 64.17 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.349 1.06 . . . . 0.0 111.243 -177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -148.58 -162.17 1.5 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.515 -0.741 . . . . 0.0 110.692 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.58 -178.85 21.44 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 125.942 1.734 . . . . 0.0 109.143 -167.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 172.97 172.31 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 124.833 1.253 . . . . 0.0 108.294 178.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.7 m -81.34 89.7 6.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 176.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.05 167.34 12.06 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.592 1.157 . . . . 0.0 108.094 174.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -14.64 -58.32 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 128.7 2.8 . . . . 0.0 115.465 -172.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -150.78 38.54 0.68 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.724 0.81 . . . . 0.0 110.036 174.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.48 172.05 16.11 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.653 -1.279 . . . . 0.0 111.366 -176.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.59 105.35 15.18 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.936 0.874 . . . . 0.0 112.914 -170.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -90.74 154.49 19.5 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.265 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.412 ' C ' HD11 ' A' ' 47' ' ' LEU . 81.6 m -141.36 161.66 37.36 Favored 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 125.911 1.684 . . . . 0.0 108.406 175.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -132.74 122.61 24.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.893 2.077 . . . . 0.0 107.095 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.39 36.92 4.72 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.666 1.603 . . . . 0.0 111.877 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 47' ' ' LEU . 2.1 mp -70.04 67.55 0.29 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.614 1.566 . . . . 0.0 108.127 175.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.08 -53.44 45.45 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.367 0.603 . . . . 0.0 109.374 -165.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -70.84 145.61 50.18 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.239 152.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.04 97.16 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.158 1.783 . . . . 0.0 108.812 -167.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 1.7 mppt? -61.03 -68.02 0.35 Allowed 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 126.792 2.037 . . . . 0.0 109.769 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 176.56 65.25 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.919 1.688 . . . . 0.0 106.649 -170.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.482 HG21 ' HD2' ' A' ' 2' ' ' LYS . 25.3 m -63.1 144.69 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.904 -173.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.5 165.42 25.14 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 123.224 1.488 . . . . 0.0 111.426 -173.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -91.06 86.15 6.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.287 -2.233 . . . . 0.0 108.275 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.483 HG22 ' CD2' ' A' ' 5' ' ' TYR . 28.7 pt -74.27 154.14 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.522 ' H ' ' HD3' ' A' ' 57' ' ' LYS . 1.8 mppt? -75.82 154.25 36.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -35.63 81.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 122.64 1.21 . . . . 0.0 109.949 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.48 41.2 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.401 -1.272 . . . . 0.0 111.503 168.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -45.53 94.27 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.382 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -47.05 -59.17 3.31 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 119.5 1.045 . . . . 0.0 109.877 174.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -56.4 -52.01 66.2 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.985 0.421 . . . . 0.0 110.954 -177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -54.12 -40.95 67.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.204 1.002 . . . . 0.0 111.639 178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 97.4 m -117.2 27.89 8.83 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 124.792 1.237 . . . . 0.0 112.14 -164.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -104.01 -67.28 0.9 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 119.918 1.236 . . . . 0.0 110.413 168.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.7 -22.62 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.403 1.081 . . . . 0.0 113.018 -169.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -30.31 -62.82 0.15 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 128.6 2.76 . . . . 0.0 114.185 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.5 mm -64.14 -31.89 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 122.965 0.506 . . . . 0.0 110.996 -174.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mm . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.594 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.79 160.71 28.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.826 1.651 . . . . 0.0 106.634 -165.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.562 ' HA ' HD13 ' A' ' 47' ' ' LEU . 29.7 p-10 -52.63 127.26 22.38 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 122.017 0.913 . . . . 0.0 112.274 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.5 175.23 45.43 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.607 -148.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -79.25 93.55 5.28 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.578 1.151 . . . . 0.0 109.726 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.66 142.74 38.66 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.397 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.417 ' CG1' ' HA2' ' A' ' 11' ' ' GLY . 21.4 m -137.3 136.61 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.403 ' OD1' ' NZ ' ' A' ' 12' ' ' LYS . 15.2 t70 18.44 -79.94 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.316 2.646 . . . . 0.0 114.056 141.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t 173.81 -41.16 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 131.293 3.837 . . . . 0.0 105.895 -167.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.1 p -109.87 -55.93 2.38 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.659 1.184 . . . . 0.0 110.605 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.417 ' HA2' ' CG1' ' A' ' 7' ' ' VAL . . . 134.68 62.65 0.07 OUTLIER Glycine 0 C--N 1.338 0.682 0 C-N-CA 125.216 1.389 . . . . 0.0 112.785 -174.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' NZ ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -75.06 66.32 1.59 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 160.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 m -65.72 141.68 17.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 122.709 0.404 . . . . 0.0 111.409 -172.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.5 m -98.23 133.3 42.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 168.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -120.11 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 162.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 106.17 147.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 130.604 3.562 . . . . 0.0 112.696 173.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 pp -88.94 -40.64 12.91 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.098 0.959 . . . . 0.0 111.619 172.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 66.94 6.21 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.096 -1.003 . . . . 0.0 110.934 -175.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -17.08 -58.21 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 128.827 2.851 . . . . 0.0 115.746 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -33.87 -48.85 0.31 Allowed 'General case' 0 C--O 1.232 0.163 0 C-N-CA 126.994 2.118 . . . . 0.0 112.671 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -40.14 -51.93 2.6 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.771 1.228 . . . . 0.0 111.504 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.83 -44.53 73.28 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -169.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -49.97 65.63 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 171.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.41 -56.75 17.32 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 124.178 0.991 . . . . 0.0 110.461 -174.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 mm -55.59 -46.17 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 123.85 0.86 . . . . 0.0 109.303 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -38.44 91.0 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -171.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.2 t -73.39 -32.09 64.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 119.731 -0.787 . . . . 0.0 111.501 171.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -71.44 -41.42 69.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.248 0.931 . . . . 0.0 111.554 -172.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -108.13 -58.21 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 C-N-CA 126.216 1.807 . . . . 0.0 109.349 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -82.89 -28.47 29.97 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.828 0.851 . . . . 0.0 111.493 -170.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.304 57.6 m-85 69.07 46.34 0.83 Allowed 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 127.182 2.193 . . . . 0.0 112.6 -173.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.9 136.96 34.59 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 162.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -79.15 -5.82 55.09 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -162.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -164.05 -173.59 3.24 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 127.056 2.142 . . . . 0.0 105.689 175.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.36 -178.44 31.17 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 107.259 -2.336 . . . . 0.0 107.259 -171.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 175.48 164.91 0.32 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.497 1.119 . . . . 0.0 108.955 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.0 m -77.06 87.91 3.56 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.0 t -69.69 159.76 32.88 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -6.41 -56.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 130.197 3.399 . . . . 0.0 115.507 175.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.45 38.57 0.55 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 173.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 t -169.77 -174.53 1.87 Allowed 'General case' 0 N--CA 1.463 0.202 0 O-C-N 121.467 -0.771 . . . . 0.0 110.778 174.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -107.97 97.98 7.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 123.079 1.418 . . . . 0.0 111.541 -170.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.37 148.2 43.63 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 112.942 -1.935 . . . . 0.0 108.903 175.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 87.8 m -142.99 164.1 30.98 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 127.243 2.217 . . . . 0.0 106.17 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -127.09 124.31 38.91 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 124.999 1.32 . . . . 0.0 112.579 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.65 43.87 11.37 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.562 HD13 ' HA ' ' A' ' 3' ' ' ASN . 2.9 mp -61.11 138.02 58.22 Favored 'General case' 0 N--CA 1.428 -1.556 0 C-N-CA 127.769 2.427 . . . . 0.0 109.998 179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -61.57 172.47 1.2 Allowed 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.936 160.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -72.31 -53.87 11.14 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 113.81 -1.541 . . . . 0.0 108.439 -178.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -36.0 -34.82 0.06 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.389 2.676 . . . . 0.0 114.01 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 4.3 mmtt -78.38 -2.41 38.16 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.069 -1.02 . . . . 0.0 111.309 -171.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 53.22 60.68 3.59 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 125.981 1.713 . . . . 0.0 111.558 164.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.22 125.45 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.426 -168.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.77 168.03 8.45 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 123.205 1.479 . . . . 0.0 112.117 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -87.02 129.54 34.85 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 112.424 -2.171 . . . . 0.0 107.976 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 pt -131.32 141.92 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 123.064 0.546 . . . . 0.0 112.035 -166.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 143.65 49.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.265 1.026 . . . . 0.0 108.924 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -61.38 -53.0 62.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.096 0.951 . . . . 0.0 110.383 -173.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.63 -36.43 15.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.971 173.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -40.05 85.66 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 117.435 -1.269 . . . . 0.0 109.075 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 pttm -56.68 -53.73 54.37 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 120.592 1.542 . . . . 0.0 109.512 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -53.49 -57.93 8.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.042 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -52.22 -37.94 56.54 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.923 0.889 . . . . 0.0 111.91 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.3 m -113.87 35.33 4.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.351 1.46 . . . . 0.0 112.161 -172.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.47 -55.87 0.96 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.396 0.998 . . . . 0.0 110.555 170.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.0 t -52.19 -31.81 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.04 1.336 . . . . 0.0 111.209 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -19.53 -66.42 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 128.355 2.662 . . . . 0.0 112.66 165.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -107.22 -33.65 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 C-N-CA 125.038 1.335 . . . . 0.0 108.753 -177.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mt . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.95 -158.61 0.88 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -164.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.506 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 46.6 p-10 -126.34 145.24 50.52 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 124.777 1.231 . . . . 0.0 108.588 163.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.94 172.55 42.51 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -156.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -84.24 108.01 16.87 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.522 0.729 . . . . 0.0 110.192 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.31 137.87 33.21 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.523 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 27.6 m -142.3 152.14 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 123.612 0.765 . . . . 0.0 109.416 177.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -10.51 -75.86 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 128.795 2.838 . . . . 0.0 113.716 162.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t 172.58 -47.51 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 130.449 3.5 . . . . 0.0 105.109 -164.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p -86.07 -53.16 5.24 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.138 0.575 . . . . 0.0 109.978 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 148.88 34.62 0.05 OUTLIER Glycine 0 CA--C 1.533 1.169 0 N-CA-C 116.118 1.207 . . . . 0.0 116.118 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -76.19 87.73 3.05 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.223 1.512 . . . . 0.0 108.558 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -65.16 125.98 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.514 0.674 . . . . 0.0 110.728 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.6 m -82.24 62.35 5.91 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.788 0.835 . . . . 0.0 110.917 -174.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 179.72 0.96 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.143 0.429 . . . . 0.0 111.799 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 p 163.63 173.11 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 128.017 2.527 . . . . 0.0 111.129 -173.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -48.38 7.11 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.567 0.747 . . . . 0.0 111.185 162.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.95 73.55 3.54 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.995 -1.065 . . . . 0.0 111.601 -173.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -16.98 -52.72 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.895 2.878 . . . . 0.0 116.578 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -43.52 -39.67 3.52 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.945 1.298 . . . . 0.0 112.781 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.86 -52.9 17.41 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.418 0.687 . . . . 0.0 111.124 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -53.09 62.2 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -177.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -46.71 -57.23 5.04 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 124.71 1.204 . . . . 0.0 111.038 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -52.32 -56.41 15.03 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.326 1.45 . . . . 0.0 112.024 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.0 mm -55.49 -40.98 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.256 0.5 OUTLIER -71.66 -42.78 67.09 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -168.145 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 t -59.97 -45.53 92.39 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 166.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -57.42 -41.85 81.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 117.972 0.351 . . . . 0.0 111.93 -172.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.9 t -104.22 -48.82 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 C-N-CA 124.461 1.105 . . . . 0.0 111.394 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -108.01 2.1 22.95 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.663 1.185 . . . . 0.0 112.263 -169.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 73.34 7.22 5.2 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.664 1.186 . . . . 0.0 112.91 176.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.05 127.91 34.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 119.035 0.834 . . . . 0.0 111.457 -174.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -77.23 -22.63 51.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.18 0.992 . . . . 0.0 112.032 -173.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -139.72 -177.31 4.9 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.57 171.88 14.76 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 107.965 -2.054 . . . . 0.0 107.965 -171.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -177.34 164.4 2.13 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 -174.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.9 m -77.19 93.81 4.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.2 t -70.3 165.54 22.09 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.267 1.427 . . . . 0.0 109.265 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -11.04 -55.9 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 129.689 3.195 . . . . 0.0 115.481 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -152.76 38.55 0.53 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.667 0.787 . . . . 0.0 109.878 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.26 -169.49 1.82 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.906 -1.121 . . . . 0.0 111.593 -175.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.9 t -127.05 105.2 8.43 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.634 0.774 . . . . 0.0 112.812 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -82.66 153.59 25.32 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.612 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.5 m -147.05 154.13 40.82 Favored 'General case' 0 N--CA 1.42 -1.958 0 C-N-CA 125.849 1.66 . . . . 0.0 107.696 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -129.18 123.39 31.94 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.223 1.809 . . . . 0.0 109.157 176.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.42 41.82 8.22 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.199 1.38 . . . . 0.0 111.013 -177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.728 ' H ' HD12 ' A' ' 47' ' ' LEU . 3.5 mp -60.64 -179.38 0.12 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 118.199 0.999 . . . . 0.0 109.834 175.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -69.77 176.44 3.62 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 166.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -31.37 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 128.016 2.527 . . . . 0.0 110.895 -172.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -165.26 116.42 1.12 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 145.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -57.63 -60.96 2.88 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 124.084 0.953 . . . . 0.0 108.973 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 167.05 56.88 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 128.364 2.665 . . . . 0.0 107.161 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.0 m -62.59 146.32 12.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 121.256 0.551 . . . . 0.0 110.472 -170.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -69.69 166.45 19.13 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 123.086 1.422 . . . . 0.0 109.525 169.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -131.16 133.57 45.7 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 112.419 -2.173 . . . . 0.0 107.257 -156.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 pt -129.63 141.48 46.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -147.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -59.73 158.85 9.57 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.787 1.635 . . . . 0.0 109.018 175.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.69 -42.73 67.06 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.877 1.671 . . . . 0.0 111.464 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.4 78.72 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.031 -0.418 . . . . 0.0 110.794 171.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -41.7 80.69 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -47.21 -60.44 2.48 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 125.495 1.518 . . . . 0.0 109.131 172.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.7 t -57.13 -52.89 63.47 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.181 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -53.76 -36.56 62.48 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.974 0.91 . . . . 0.0 112.256 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 93.7 m -121.91 37.83 4.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.531 1.133 . . . . 0.0 111.782 -170.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -128.59 -59.1 1.16 Allowed 'General case' 0 C--O 1.23 0.077 0 CA-C-N 119.237 0.926 . . . . 0.0 111.577 165.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -56.24 -30.76 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.256 1.022 . . . . 0.0 111.978 -174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -21.59 -68.54 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 129.926 3.291 . . . . 0.0 113.923 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.5 mm -85.59 -20.27 8.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.036 -171.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.682 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 121.343 0.592 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -146.47 134.67 21.68 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 123.655 0.782 . . . . 0.0 109.305 -161.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.524 ' HA ' HD13 ' A' ' 47' ' ' LEU . 12.1 p-10 -59.08 137.87 57.77 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 119.472 1.033 . . . . 0.0 109.704 166.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.1 169.46 40.78 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 -161.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -96.53 101.71 13.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.3 0.64 . . . . 0.0 109.328 -171.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.12 137.62 37.56 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 119.51 -0.281 . . . . 0.0 110.417 -169.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.486 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 29.7 m -104.53 147.21 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.004 0.522 . . . . 0.0 110.809 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 4.4 -78.82 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 128.152 2.581 . . . . 0.0 114.184 153.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t 175.81 -47.2 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 130.433 3.493 . . . . 0.0 104.742 -165.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -96.29 -54.6 3.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.65 1.18 . . . . 0.0 109.649 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.486 ' HA2' ' HB ' ' A' ' 7' ' ' VAL . . . 153.64 70.31 0.01 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 112.244 -0.342 . . . . 0.0 112.244 -165.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -140.71 148.03 40.12 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 103.897 -2.631 . . . . 0.0 103.897 168.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -131.53 151.41 35.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 CA-C-N 119.109 0.868 . . . . 0.0 109.273 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.8 m -79.68 119.89 23.24 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 167.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.12 -67.94 0.39 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 172.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p 57.94 175.07 0.06 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.838 2.455 . . . . 0.0 116.46 162.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.76 -47.54 1.53 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.823 1.649 . . . . 0.0 110.821 178.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.37 117.89 9.97 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.527 -0.733 . . . . 0.0 112.066 -172.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -64.56 -51.41 62.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.523 0.729 . . . . 0.0 111.066 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -52.08 -47.79 65.01 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.819 0.847 . . . . 0.0 110.692 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -48.32 -60.77 2.41 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.211 0.604 . . . . 0.0 110.188 175.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -47.37 86.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -173.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -49.51 -57.55 6.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.594 0.757 . . . . 0.0 112.074 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -52.81 -52.76 55.66 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.267 1.427 . . . . 0.0 111.45 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.2 mm -56.57 -43.97 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.262 0.5 OUTLIER -65.89 -41.91 90.92 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -172.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.4 t -66.78 -38.93 87.52 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.052 171.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -57.56 7.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 120.811 -1.181 . . . . 0.0 110.585 -174.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -88.36 -58.58 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 C-N-CA 125.28 1.432 . . . . 0.0 109.039 -167.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -87.4 -20.11 27.15 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.221 1.008 . . . . 0.0 112.368 -167.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.287 92.8 m-85 64.04 49.43 2.74 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 126.143 1.777 . . . . 0.0 111.812 -176.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.62 152.75 22.32 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.617 1.167 . . . . 0.0 109.108 164.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 78.8 p -74.24 -30.4 62.13 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.347 -0.845 . . . . 0.0 110.914 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.0 -165.29 1.8 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 118.881 -0.58 . . . . 0.0 111.08 175.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.6 171.24 22.57 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 126.721 2.105 . . . . 0.0 108.427 -170.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -174.75 178.98 1.77 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 126.282 1.833 . . . . 0.0 107.127 173.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.8 m -76.93 91.22 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.041 0.937 . . . . 0.0 109.025 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -61.01 165.73 3.98 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.691 0.797 . . . . 0.0 110.004 168.595 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -22.61 -51.24 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.183 2.593 . . . . 0.0 114.56 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.45 44.83 0.71 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 168.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -162.84 172.45 15.15 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.084 -1.01 . . . . 0.0 110.525 -176.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.7 t -98.55 102.61 14.4 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 122.389 1.09 . . . . 0.0 110.249 175.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -71.87 154.87 40.97 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.205 171.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.53 ' C ' HD11 ' A' ' 47' ' ' LEU . 74.5 m -137.3 165.85 25.2 Favored 'General case' 0 N--CA 1.41 -2.426 0 O-C-N 125.105 1.503 . . . . 0.0 107.662 168.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -131.57 137.14 48.32 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.66 1.984 . . . . 0.0 107.426 174.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.88 43.08 75.84 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.787 0.708 . . . . 0.0 113.887 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.53 HD11 ' C ' ' A' ' 44' ' ' CYS . 0.4 OUTLIER -68.38 73.19 0.22 Allowed 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 128.495 2.718 . . . . 0.0 108.665 176.609 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -47.8 -67.2 0.3 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.489 0.661 . . . . 0.0 110.695 -172.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -71.95 149.37 45.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.578 158.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -138.73 105.8 5.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.897 2.079 . . . . 0.0 107.323 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -52.31 57.92 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 127.241 2.216 . . . . 0.0 108.553 -177.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 167.89 70.07 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 127.962 2.505 . . . . 0.0 107.91 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.61 155.03 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.174 176.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.35 170.63 1.69 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 123.068 1.413 . . . . 0.0 111.119 169.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -117.26 118.37 32.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 127.109 2.164 . . . . 0.0 105.754 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.7 pt -121.46 143.75 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 122.552 0.341 . . . . 0.0 111.248 -155.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.75 146.41 49.45 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.301 0.64 . . . . 0.0 110.304 -178.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.71 -51.74 68.29 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 122.231 1.015 . . . . 0.0 109.822 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.36 -36.54 43.56 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.853 -1.067 . . . . 0.0 112.528 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -41.95 64.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.792 0.724 . . . . 0.0 109.705 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -59.57 4.15 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.2 t -51.85 -52.96 45.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.699 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -50.64 -47.37 58.54 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 123.813 0.845 . . . . 0.0 110.913 175.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 15.0 m -84.57 -32.91 23.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 -166.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.71 -54.86 10.19 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.946 0.879 . . . . 0.0 110.058 -166.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.8 t -48.85 -37.17 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 126.102 1.761 . . . . 0.0 112.327 -177.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -36.62 -55.48 0.86 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 127.659 2.384 . . . . 0.0 112.462 -177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.7 mt -102.92 -41.72 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.339 0.117 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 175.727 . . . . . . . . 0 0 . 1 stop_ save_