data_1ck2_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 1ck2 _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . 0.283 . . . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_exo -58.71 135.96 70.65 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 122.572 2.181 . . . . 0.0 108.248 166.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 p -39.31 -45.38 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -167.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -14.64 32.12 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -90.45 20.94 4.18 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 118.292 2.701 . . . . 0.0 118.292 -164.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -64.7 -20.29 66.24 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.989 1.316 . . . . 0.0 113.245 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -87.6 -37.81 16.49 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.766 1.226 . . . . 0.0 111.312 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 m -68.02 -50.72 53.74 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 126.043 1.737 . . . . 0.0 110.41 -172.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -44.53 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.955 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.8 -62.5 1.57 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.934 1.294 . . . . 0.0 111.445 172.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -56.29 -53.46 56.98 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.87 1.268 . . . . 0.0 111.013 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HZ2' ' CG ' ' A' ' 99' ' ' ASP . 56.8 tttp -62.8 -40.73 98.27 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.863 0.865 . . . . 0.0 112.215 -177.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.03 -41.87 77.13 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.007 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.33 96.66 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.916 1.234 . . . . 0.0 111.991 172.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.51 -40.7 65.63 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.685 1.194 . . . . 0.0 111.442 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 t -65.64 -54.55 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.511 1.124 . . . . 0.0 112.667 169.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.3 mt -52.9 -24.0 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.541 1.537 . . . . 0.0 113.417 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -47.66 -32.6 5.82 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.978 1.711 . . . . 0.0 113.629 168.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.6 p -149.92 -12.04 0.27 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 116.824 2.157 . . . . 0.0 116.824 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.61 160.97 45.9 Favored Glycine 0 CA--C 1.534 1.251 0 CA-C-N 119.296 0.953 . . . . 0.0 113.597 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.56 115.0 26.64 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.581 1.152 . . . . 0.0 111.384 -175.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -125.28 174.26 8.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.011 1.724 . . . . 0.0 113.31 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -146.3 149.75 34.44 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.499 1.92 . . . . 0.0 110.485 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.7 mt -136.08 132.21 35.86 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.82 1.648 . . . . 0.0 112.979 -171.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.34 148.71 24.0 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.219 0.914 . . . . 0.0 112.084 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -51.3 -58.67 5.57 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.628 1.171 . . . . 0.0 113.835 -168.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.74 -41.8 78.14 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.39 0.676 . . . . 0.0 112.167 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -59.8 -53.04 62.56 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.001 1.72 . . . . 0.0 111.928 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.269 8.6 t -59.93 -58.52 8.18 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-O 116.547 -1.692 . . . . 0.0 109.73 172.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.9 t -44.45 -53.25 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 121.519 1.963 . . . . 0.0 112.862 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -49.73 -59.07 4.15 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.477 1.111 . . . . 0.0 111.59 171.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 m -64.46 -31.73 73.07 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.66 1.584 . . . . 0.0 113.574 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.3 mt -76.14 -40.28 53.06 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.288 1.035 . . . . 0.0 111.335 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -63.44 -24.78 67.98 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.547 0.739 . . . . 0.0 112.196 171.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -73.37 0.24 12.73 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.03 1.332 . . . . 0.0 113.149 167.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.57 -38.03 1.22 Allowed Glycine 0 CA--C 1.53 0.989 0 C-N-CA 126.665 2.078 . . . . 0.0 116.808 168.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.97 11.69 1.04 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -169.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 p -66.93 169.81 7.65 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.167 1.349 . . . . 0.0 112.623 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -139.38 -29.17 0.75 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 170.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.52 127.21 18.05 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.19 0.904 . . . . 0.0 109.372 -178.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 pt -111.03 142.9 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.467 1.107 . . . . 0.0 110.485 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.1 mm -116.49 137.26 50.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 124.182 0.993 . . . . 0.0 109.494 172.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 mt -122.58 95.02 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.53 57.91 0.7 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.995 2.118 . . . . 0.0 110.054 169.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.52 148.62 29.6 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.015 1.726 . . . . 0.0 109.116 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -61.89 75.4 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.636 2.374 . . . . 0.0 111.433 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.2 m -105.28 107.43 59.01 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 126.887 2.075 . . . . 0.0 110.342 -167.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -72.51 168.08 25.31 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.577 2.184 . . . . 0.0 112.283 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.9 t -50.29 -51.3 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.735 1.614 . . . . 0.0 113.588 -169.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.68 -37.47 87.69 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.534 1.061 . . . . 0.0 112.303 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -46.41 66.02 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.439 1.496 . . . . 0.0 110.316 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -62.71 -44.38 96.38 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -56.89 -39.92 75.27 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 124.463 1.105 . . . . 0.0 111.622 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -64.12 -47.92 78.11 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.408 1.004 . . . . 0.0 112.039 173.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.97 -43.54 95.03 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.153 0.888 . . . . 0.0 112.593 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.98 -38.95 87.76 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.969 2.508 . . . . 0.0 111.733 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -62.42 -47.09 85.64 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.206 1.402 . . . . 0.0 111.607 170.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -66.26 -37.46 85.52 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.12 -0.988 . . . . 0.0 112.68 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.03 -16.31 63.3 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 169.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.8 ttp -90.75 -43.91 9.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.916 1.686 . . . . 0.0 112.269 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.2 mt -59.37 -63.36 1.33 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.272 1.429 . . . . 0.0 109.977 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.0 p -63.52 143.19 58.03 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 166.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -83.74 83.94 7.74 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 120.806 -1.184 . . . . 0.0 107.977 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.3 m -131.42 163.52 27.75 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.867 2.467 . . . . 0.0 111.481 -166.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -109.57 139.61 44.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.027 1.731 . . . . 0.0 110.937 171.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 37.5 t -96.75 130.35 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.554 1.541 . . . . 0.0 110.191 171.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -122.05 109.89 15.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.503 1.121 . . . . 0.0 110.682 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -78.43 122.58 26.0 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.529 0.681 . . . . 0.0 110.691 173.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -127.46 34.59 4.66 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.857 2.063 . . . . 0.0 109.063 172.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -76.17 68.32 2.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.423 1.489 . . . . 0.0 111.979 -170.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.05 -4.83 16.86 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 126.243 1.877 . . . . 0.0 114.531 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.55 9.93 74.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.494 1.045 . . . . 0.0 113.972 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.32 -88.71 0.46 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.886 1.343 . . . . 0.0 111.271 -178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.39 13.94 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -167.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' A' ' 76' ' ' GLU . 5.5 mp0 -56.35 -28.69 59.87 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -160.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 tp -87.22 -15.31 38.59 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.53 -36.13 38.34 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.181 0.896 . . . . 0.0 111.348 172.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 m -43.26 -58.83 2.34 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.202 3.001 . . . . 0.0 111.999 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.27 50.8 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.683 1.193 . . . . 0.0 112.884 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 m -80.58 -70.55 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -166.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -125.41 -4.99 6.77 Favored Glycine 0 N--CA 1.472 1.048 0 N-CA-C 116.786 1.474 . . . . 0.0 116.786 -168.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.07 -30.43 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 129.468 3.107 . . . . 0.0 116.942 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.5 mt -91.2 -60.86 1.79 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.852 2.061 . . . . 0.0 113.173 -173.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.29 155.17 38.51 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.846 0.748 . . . . 0.0 112.94 173.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -25.49 15.11 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.467 1.507 . . . . 0.0 112.968 -172.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.1 t -73.36 87.76 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.603 1.561 . . . . 0.0 110.514 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -78.57 50.18 3.49 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.406 1.003 . . . . 0.0 113.694 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.1 p -96.23 117.84 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 118.057 0.928 . . . . 0.0 109.056 172.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.424 ' C ' ' HG ' ' A' ' 91' ' ' SER . 21.2 t -135.84 158.25 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.159 1.384 . . . . 0.0 110.226 -166.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.424 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 13.5 m -150.54 151.75 33.12 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 120.431 -1.418 . . . . 0.0 110.438 166.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mm -123.54 136.28 60.6 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 125.881 1.672 . . . . 0.0 109.036 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 mp -116.94 -42.87 2.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.429 1.892 . . . . 0.0 112.08 -169.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -136.29 97.62 3.64 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.347 1.059 . . . . 0.0 109.62 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.19 61.07 1.11 Allowed 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.802 -0.561 . . . . 0.0 111.484 169.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.32 38.67 0.7 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.65 1.595 . . . . 0.0 114.013 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -145.56 -85.71 0.12 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.881 1.672 . . . . 0.0 109.155 -169.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 t -107.8 151.9 25.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 123.135 1.445 . . . . 0.0 110.535 166.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.416 ' CG ' ' HZ2' ' A' ' 13' ' ' LYS . 8.3 p-10 -52.06 12.09 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.874 1 C-N-CA 135.456 5.503 . . . . 0.0 117.59 178.177 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.6 tt -48.46 -56.21 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 120.795 1.634 . . . . 0.0 113.12 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.363 0.1 OUTLIER -60.8 -10.01 4.89 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 175.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.1 t -108.98 -14.43 14.55 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.4 p -107.62 -47.27 3.65 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.565 1.529 . . . . 0.0 113.586 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.15 38.72 0.22 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.887 2.475 . . . . 0.0 109.623 169.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 C-N-CA 126.963 2.105 . . . . 0.0 113.718 -168.689 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . 0.283 . . . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_exo -58.71 135.96 70.65 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 122.572 2.181 . . . . 0.0 108.248 166.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 p -39.31 -45.38 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -167.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -14.64 32.12 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -90.45 20.94 4.18 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 118.292 2.701 . . . . 0.0 118.292 -164.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -64.7 -20.29 66.24 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.989 1.316 . . . . 0.0 113.245 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -87.6 -37.81 16.49 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.766 1.226 . . . . 0.0 111.312 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 m -68.02 -50.72 53.74 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 126.043 1.737 . . . . 0.0 110.41 -172.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -44.53 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.955 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.8 -62.5 1.57 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.934 1.294 . . . . 0.0 111.445 172.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -56.29 -53.46 56.98 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.87 1.268 . . . . 0.0 111.013 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -62.8 -40.73 98.27 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.863 0.865 . . . . 0.0 112.215 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.03 -41.87 77.13 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.007 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.33 96.66 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.916 1.234 . . . . 0.0 111.991 172.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.51 -40.7 65.63 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.685 1.194 . . . . 0.0 111.442 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 t -65.64 -54.55 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.511 1.124 . . . . 0.0 112.667 169.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.3 mt -52.9 -24.0 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.541 1.537 . . . . 0.0 113.417 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -47.66 -32.6 5.82 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.978 1.711 . . . . 0.0 113.629 168.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.6 p -149.92 -12.04 0.27 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 116.824 2.157 . . . . 0.0 116.824 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.61 160.97 45.9 Favored Glycine 0 CA--C 1.534 1.251 0 CA-C-N 119.296 0.953 . . . . 0.0 113.597 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.56 115.0 26.64 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.581 1.152 . . . . 0.0 111.384 -175.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -125.28 174.26 8.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.011 1.724 . . . . 0.0 113.31 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -146.3 149.75 34.44 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.499 1.92 . . . . 0.0 110.485 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.7 mt -136.08 132.21 35.86 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.82 1.648 . . . . 0.0 112.979 -171.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.34 148.71 24.0 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.219 0.914 . . . . 0.0 112.084 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -51.3 -58.67 5.57 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.628 1.171 . . . . 0.0 113.835 -168.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.74 -41.8 78.14 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.39 0.676 . . . . 0.0 112.167 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -59.8 -53.04 62.56 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.001 1.72 . . . . 0.0 111.928 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.269 8.6 t -59.93 -58.52 8.18 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-O 116.547 -1.692 . . . . 0.0 109.73 172.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.9 t -44.45 -53.25 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 121.519 1.963 . . . . 0.0 112.862 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -49.73 -59.07 4.15 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.477 1.111 . . . . 0.0 111.59 171.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 m -64.46 -31.73 73.07 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.66 1.584 . . . . 0.0 113.574 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.3 mt -76.14 -40.28 53.06 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.288 1.035 . . . . 0.0 111.335 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -63.44 -24.78 67.98 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.547 0.739 . . . . 0.0 112.196 171.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -73.37 0.24 12.73 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.03 1.332 . . . . 0.0 113.149 167.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.57 -38.03 1.22 Allowed Glycine 0 CA--C 1.53 0.989 0 C-N-CA 126.665 2.078 . . . . 0.0 116.808 168.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.97 11.69 1.04 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -169.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 p -66.93 169.81 7.65 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.167 1.349 . . . . 0.0 112.623 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -139.38 -29.17 0.75 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 170.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.584 HD11 HD11 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -142.52 127.21 18.05 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.19 0.904 . . . . 0.0 109.372 -178.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 pt -111.03 142.9 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.467 1.107 . . . . 0.0 110.485 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.626 HG21 HD22 ' A' ' 77' ' ' LEU . 16.1 mm -116.49 137.26 50.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 124.182 0.993 . . . . 0.0 109.494 172.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 mt -122.58 95.02 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.53 57.91 0.7 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.995 2.118 . . . . 0.0 110.054 169.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.52 148.62 29.6 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.015 1.726 . . . . 0.0 109.116 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -61.89 75.4 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.636 2.374 . . . . 0.0 111.433 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.2 m -105.28 107.43 59.01 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 126.887 2.075 . . . . 0.0 110.342 -167.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -72.51 168.08 25.31 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.577 2.184 . . . . 0.0 112.283 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.9 t -50.29 -51.3 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.735 1.614 . . . . 0.0 113.588 -169.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.68 -37.47 87.69 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.534 1.061 . . . . 0.0 112.303 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -46.41 66.02 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.439 1.496 . . . . 0.0 110.316 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -62.71 -44.38 96.38 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -56.89 -39.92 75.27 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 124.463 1.105 . . . . 0.0 111.622 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -64.12 -47.92 78.11 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.408 1.004 . . . . 0.0 112.039 173.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.97 -43.54 95.03 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.153 0.888 . . . . 0.0 112.593 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.98 -38.95 87.76 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.969 2.508 . . . . 0.0 111.733 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -62.42 -47.09 85.64 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.206 1.402 . . . . 0.0 111.607 170.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -66.26 -37.46 85.52 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.12 -0.988 . . . . 0.0 112.68 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.03 -16.31 63.3 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 169.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.8 ttp -90.75 -43.91 9.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.916 1.686 . . . . 0.0 112.269 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.2 mt -59.37 -63.36 1.33 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.272 1.429 . . . . 0.0 109.977 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.0 p -63.52 143.19 58.03 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 166.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -83.74 83.94 7.74 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 120.806 -1.184 . . . . 0.0 107.977 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.3 m -131.42 163.52 27.75 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.867 2.467 . . . . 0.0 111.481 -166.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -109.57 139.61 44.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.027 1.731 . . . . 0.0 110.937 171.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 37.5 t -96.75 130.35 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.554 1.541 . . . . 0.0 110.191 171.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -122.05 109.89 15.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.503 1.121 . . . . 0.0 110.682 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -78.43 122.58 26.0 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.529 0.681 . . . . 0.0 110.691 173.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -127.46 34.59 4.66 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.857 2.063 . . . . 0.0 109.063 172.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -76.17 68.32 2.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.423 1.489 . . . . 0.0 111.979 -170.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.05 -4.83 16.86 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 126.243 1.877 . . . . 0.0 114.531 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.55 9.93 74.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.494 1.045 . . . . 0.0 113.972 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.32 -88.71 0.46 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.886 1.343 . . . . 0.0 111.271 -178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.39 13.94 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -167.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 76' ' ' GLU . 5.5 mp0 -56.35 -28.69 59.87 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -160.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.626 HD22 HG21 ' A' ' 43' ' ' ILE . 29.3 tp -87.22 -15.31 38.59 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 176.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.53 -36.13 38.34 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.181 0.896 . . . . 0.0 111.348 172.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 m -43.26 -58.83 2.34 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.202 3.001 . . . . 0.0 111.999 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.27 50.8 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.683 1.193 . . . . 0.0 112.884 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 m -80.58 -70.55 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -166.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -125.41 -4.99 6.77 Favored Glycine 0 N--CA 1.472 1.048 0 N-CA-C 116.786 1.474 . . . . 0.0 116.786 -168.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.07 -30.43 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 129.468 3.107 . . . . 0.0 116.942 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.5 mt -91.2 -60.86 1.79 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.852 2.061 . . . . 0.0 113.173 -173.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.29 155.17 38.51 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.846 0.748 . . . . 0.0 112.94 173.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -25.49 15.11 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.467 1.507 . . . . 0.0 112.968 -172.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.1 t -73.36 87.76 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.603 1.561 . . . . 0.0 110.514 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -78.57 50.18 3.49 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.406 1.003 . . . . 0.0 113.694 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.1 p -96.23 117.84 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 118.057 0.928 . . . . 0.0 109.056 172.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.84 158.25 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.159 1.384 . . . . 0.0 110.226 -166.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m -150.54 151.75 33.12 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 120.431 -1.418 . . . . 0.0 110.438 166.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mm -123.54 136.28 60.6 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 125.881 1.672 . . . . 0.0 109.036 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 mp -116.94 -42.87 2.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.429 1.892 . . . . 0.0 112.08 -169.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -136.29 97.62 3.64 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.347 1.059 . . . . 0.0 109.62 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.19 61.07 1.11 Allowed 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.802 -0.561 . . . . 0.0 111.484 169.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.32 38.67 0.7 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.65 1.595 . . . . 0.0 114.013 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -145.56 -85.71 0.12 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.881 1.672 . . . . 0.0 109.155 -169.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 t -107.8 151.9 25.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 123.135 1.445 . . . . 0.0 110.535 166.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -52.06 12.09 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.874 1 C-N-CA 135.456 5.503 . . . . 0.0 117.59 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.6 tt -48.46 -56.21 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 120.795 1.634 . . . . 0.0 113.12 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.363 0.1 OUTLIER -60.8 -10.01 4.89 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 175.613 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.1 t -108.98 -14.43 14.55 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.4 p -107.62 -47.27 3.65 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.565 1.529 . . . . 0.0 113.586 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.15 38.72 0.22 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.887 2.475 . . . . 0.0 109.623 169.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 C-N-CA 126.963 2.105 . . . . 0.0 113.718 -168.689 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . 0.283 . . . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_exo -58.71 135.96 70.65 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 122.572 2.181 . . . . 0.0 108.248 166.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 p -39.31 -45.38 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -167.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -14.64 32.12 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -90.45 20.94 4.18 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 118.292 2.701 . . . . 0.0 118.292 -164.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -64.7 -20.29 66.24 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.989 1.316 . . . . 0.0 113.245 173.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -87.6 -37.81 16.49 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.766 1.226 . . . . 0.0 111.312 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 m -68.02 -50.72 53.74 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 126.043 1.737 . . . . 0.0 110.41 -172.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -44.53 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.955 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.8 -62.5 1.57 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.934 1.294 . . . . 0.0 111.445 172.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -56.29 -53.46 56.98 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.87 1.268 . . . . 0.0 111.013 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -62.8 -40.73 98.27 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.863 0.865 . . . . 0.0 112.215 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.03 -41.87 77.13 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.007 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.33 96.66 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.916 1.234 . . . . 0.0 111.991 172.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.51 -40.7 65.63 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.685 1.194 . . . . 0.0 111.442 172.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 t -65.64 -54.55 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.511 1.124 . . . . 0.0 112.667 169.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.3 mt -52.9 -24.0 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.541 1.537 . . . . 0.0 113.417 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -47.66 -32.6 5.82 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.978 1.711 . . . . 0.0 113.629 168.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.6 p -149.92 -12.04 0.27 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 116.824 2.157 . . . . 0.0 116.824 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.61 160.97 45.9 Favored Glycine 0 CA--C 1.534 1.251 0 CA-C-N 119.296 0.953 . . . . 0.0 113.597 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.56 115.0 26.64 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.581 1.152 . . . . 0.0 111.384 -175.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -125.28 174.26 8.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.011 1.724 . . . . 0.0 113.31 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -146.3 149.75 34.44 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.499 1.92 . . . . 0.0 110.485 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.7 mt -136.08 132.21 35.86 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.82 1.648 . . . . 0.0 112.979 -171.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.34 148.71 24.0 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.219 0.914 . . . . 0.0 112.084 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -51.3 -58.67 5.57 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.628 1.171 . . . . 0.0 113.835 -168.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.74 -41.8 78.14 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.39 0.676 . . . . 0.0 112.167 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -59.8 -53.04 62.56 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.001 1.72 . . . . 0.0 111.928 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.269 8.6 t -59.93 -58.52 8.18 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-O 116.547 -1.692 . . . . 0.0 109.73 172.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.9 t -44.45 -53.25 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 121.519 1.963 . . . . 0.0 112.862 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -49.73 -59.07 4.15 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.477 1.111 . . . . 0.0 111.59 171.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 m -64.46 -31.73 73.07 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.66 1.584 . . . . 0.0 113.574 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.3 mt -76.14 -40.28 53.06 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.288 1.035 . . . . 0.0 111.335 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -63.44 -24.78 67.98 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.547 0.739 . . . . 0.0 112.196 171.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -73.37 0.24 12.73 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.03 1.332 . . . . 0.0 113.149 167.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.57 -38.03 1.22 Allowed Glycine 0 CA--C 1.53 0.989 0 C-N-CA 126.665 2.078 . . . . 0.0 116.808 168.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.97 11.69 1.04 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -169.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.0 p -66.93 169.81 7.65 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.167 1.349 . . . . 0.0 112.623 172.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -139.38 -29.17 0.75 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 170.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.584 HD11 HD11 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -142.52 127.21 18.05 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.19 0.904 . . . . 0.0 109.372 -178.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 pt -111.03 142.9 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.467 1.107 . . . . 0.0 110.485 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.626 HG21 HD22 ' A' ' 77' ' ' LEU . 16.1 mm -116.49 137.26 50.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 124.182 0.993 . . . . 0.0 109.494 172.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 mt -122.58 95.02 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.53 57.91 0.7 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.995 2.118 . . . . 0.0 110.054 169.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.52 148.62 29.6 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.015 1.726 . . . . 0.0 109.116 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -61.89 75.4 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 127.636 2.374 . . . . 0.0 111.433 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.2 m -105.28 107.43 59.01 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 126.887 2.075 . . . . 0.0 110.342 -167.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -72.51 168.08 25.31 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.577 2.184 . . . . 0.0 112.283 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.9 t -50.29 -51.3 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.735 1.614 . . . . 0.0 113.588 -169.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.68 -37.47 87.69 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.534 1.061 . . . . 0.0 112.303 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -46.41 66.02 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 125.439 1.496 . . . . 0.0 110.316 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -62.71 -44.38 96.38 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -56.89 -39.92 75.27 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 124.463 1.105 . . . . 0.0 111.622 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -64.12 -47.92 78.11 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.408 1.004 . . . . 0.0 112.039 173.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.97 -43.54 95.03 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.153 0.888 . . . . 0.0 112.593 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.98 -38.95 87.76 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.969 2.508 . . . . 0.0 111.733 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -62.42 -47.09 85.64 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.206 1.402 . . . . 0.0 111.607 170.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -66.26 -37.46 85.52 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.12 -0.988 . . . . 0.0 112.68 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.03 -16.31 63.3 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 169.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.8 ttp -90.75 -43.91 9.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.916 1.686 . . . . 0.0 112.269 171.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.2 mt -59.37 -63.36 1.33 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.272 1.429 . . . . 0.0 109.977 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.0 p -63.52 143.19 58.03 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 166.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -83.74 83.94 7.74 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 120.806 -1.184 . . . . 0.0 107.977 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.3 m -131.42 163.52 27.75 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.867 2.467 . . . . 0.0 111.481 -166.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -109.57 139.61 44.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.027 1.731 . . . . 0.0 110.937 171.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 37.5 t -96.75 130.35 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 125.554 1.541 . . . . 0.0 110.191 171.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -122.05 109.89 15.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.503 1.121 . . . . 0.0 110.682 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -78.43 122.58 26.0 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.529 0.681 . . . . 0.0 110.691 173.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -127.46 34.59 4.66 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.857 2.063 . . . . 0.0 109.063 172.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -76.17 68.32 2.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.423 1.489 . . . . 0.0 111.979 -170.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.05 -4.83 16.86 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 126.243 1.877 . . . . 0.0 114.531 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.55 9.93 74.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.494 1.045 . . . . 0.0 113.972 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.32 -88.71 0.46 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.886 1.343 . . . . 0.0 111.271 -178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -170.39 13.94 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -167.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 76' ' ' GLU . 5.5 mp0 -56.35 -28.69 59.87 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -160.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.626 HD22 HG21 ' A' ' 43' ' ' ILE . 29.3 tp -87.22 -15.31 38.59 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 176.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.53 -36.13 38.34 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.181 0.896 . . . . 0.0 111.348 172.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 m -43.26 -58.83 2.34 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.202 3.001 . . . . 0.0 111.999 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.27 50.8 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.683 1.193 . . . . 0.0 112.884 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 m -80.58 -70.55 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -166.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -125.41 -4.99 6.77 Favored Glycine 0 N--CA 1.472 1.048 0 N-CA-C 116.786 1.474 . . . . 0.0 116.786 -168.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.07 -30.43 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 129.468 3.107 . . . . 0.0 116.942 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.5 mt -91.2 -60.86 1.79 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.852 2.061 . . . . 0.0 113.173 -173.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.29 155.17 38.51 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.846 0.748 . . . . 0.0 112.94 173.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -25.49 15.11 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.467 1.507 . . . . 0.0 112.968 -172.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.1 t -73.36 87.76 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.603 1.561 . . . . 0.0 110.514 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -78.57 50.18 3.49 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.406 1.003 . . . . 0.0 113.694 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.1 p -96.23 117.84 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 118.057 0.928 . . . . 0.0 109.056 172.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.84 158.25 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.159 1.384 . . . . 0.0 110.226 -166.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m -150.54 151.75 33.12 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 120.431 -1.418 . . . . 0.0 110.438 166.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mm -123.54 136.28 60.6 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 C-N-CA 125.881 1.672 . . . . 0.0 109.036 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 mp -116.94 -42.87 2.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.429 1.892 . . . . 0.0 112.08 -169.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -136.29 97.62 3.64 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.347 1.059 . . . . 0.0 109.62 169.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.19 61.07 1.11 Allowed 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.802 -0.561 . . . . 0.0 111.484 169.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.32 38.67 0.7 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.65 1.595 . . . . 0.0 114.013 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -145.56 -85.71 0.12 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.881 1.672 . . . . 0.0 109.155 -169.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 t -107.8 151.9 25.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 123.135 1.445 . . . . 0.0 110.535 166.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -52.06 12.09 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.874 1 C-N-CA 135.456 5.503 . . . . 0.0 117.59 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.6 tt -48.46 -56.21 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 120.795 1.634 . . . . 0.0 113.12 -168.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.363 0.1 OUTLIER -60.8 -10.01 4.89 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 175.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.1 t -108.98 -14.43 14.55 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.4 p -107.62 -47.27 3.65 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.565 1.529 . . . . 0.0 113.586 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.15 38.72 0.22 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.887 2.475 . . . . 0.0 109.623 169.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 C-N-CA 126.963 2.105 . . . . 0.0 113.718 -168.689 . . . . . . . . 0 0 . 1 stop_ save_