data_2kho_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 2kho _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 full ' A' A ' 4' ' ' ILE . . . . . 0.642 ' N ' ' OE1' ' A' ' 137' ' ' GLU . 18.9 mt . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 110.44 -0.207 . . . . 99.99 110.44 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.7 pt -104.49 156.18 5.87 Favored 'Isoleucine or valine' 0 C--N 1.387 2.215 0 CA-C-O 122.419 1.104 . . . . 99.99 110.034 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.05 109.54 3.68 Favored Glycine 0 C--N 1.387 3.364 0 N-CA-C 109.585 -1.406 . . . . 99.99 109.585 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.1 mt -104.08 130.24 55.04 Favored 'Isoleucine or valine' 0 C--N 1.383 2.032 0 N-CA-C 106.3 -1.741 . . . . 99.99 106.3 175.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' OD1' ' OG1' ' A' ' 141' ' ' THR . 48.3 t0 -100.43 114.65 28.38 Favored 'General case' 0 C--N 1.388 2.241 0 N-CA-C 105.673 -1.973 . . . . 99.99 105.673 165.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.551 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 62.7 tp -100.26 112.3 24.62 Favored 'General case' 0 C--N 1.38 1.923 0 N-CA-C 103.875 -2.639 . . . . 99.99 103.875 174.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.82 -172.1 30.32 Favored Glycine 0 C--N 1.378 2.867 0 CA-C-O 124.473 2.152 . . . . 99.99 113.16 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m -81.66 -54.7 5.18 Favored 'General case' 0 C--N 1.396 2.612 0 CA-C-N 112.509 -1.845 . . . . 99.99 108.913 170.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -101.49 -32.15 10.55 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-O 121.283 0.563 . . . . 99.99 111.786 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -140.86 142.0 34.59 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 121.618 0.723 . . . . 99.99 109.387 -162.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.6 m -122.88 143.97 49.52 Favored 'General case' 0 C--N 1.381 1.958 0 CA-C-O 122.357 1.075 . . . . 99.99 111.198 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.4 t -149.8 146.28 27.07 Favored 'General case' 0 C--N 1.383 2.05 0 CA-C-N 113.851 -1.522 . . . . 99.99 106.935 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -131.23 145.01 36.01 Favored 'Isoleucine or valine' 0 C--N 1.385 2.114 0 CA-C-N 113.246 -1.797 . . . . 99.99 108.885 -173.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.77 165.73 32.62 Favored 'General case' 0 C--N 1.39 2.347 0 CA-C-O 123.735 1.731 . . . . 99.99 113.088 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 pt -143.3 163.18 16.47 Favored 'Isoleucine or valine' 0 C--N 1.394 2.527 0 CA-C-N 112.323 -2.217 . . . . 99.99 109.596 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 76.8 mtp -96.43 120.7 37.22 Favored 'General case' 0 C--N 1.39 2.327 0 N-CA-C 106.046 -1.835 . . . . 99.99 106.046 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.574 ' OD2' ' NE ' ' A' ' 25' ' ' ARG . 49.2 t0 -95.91 86.68 4.4 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 102.753 -3.054 . . . . 99.99 102.753 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.26 -107.22 2.59 Favored Glycine 0 C--N 1.389 3.511 0 N-CA-C 106.569 -2.612 . . . . 99.99 106.569 -173.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.4 t -102.07 -10.45 19.69 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-N 112.971 -1.614 . . . . 99.99 111.636 170.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -95.29 133.55 25.85 Favored Pre-proline 0 C--N 1.377 1.795 0 N-CA-C 108.481 -0.933 . . . . 99.99 108.481 -166.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -68.93 136.54 35.48 Favored 'Trans proline' 0 C--N 1.378 2.119 0 CA-C-O 122.712 1.047 . . . . 99.99 110.66 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' NE ' ' OD2' ' A' ' 20' ' ' ASP . 52.1 ttm-85 -132.68 129.57 38.96 Favored 'General case' 0 C--N 1.381 1.953 0 CA-C-O 123.841 1.781 . . . . 99.99 107.503 173.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.53 128.85 66.55 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 N-CA-C 105.343 -2.095 . . . . 99.99 105.343 -177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.8 mt -95.34 170.08 9.62 Favored 'General case' 0 C--N 1.378 1.828 0 CA-C-N 112.749 -2.023 . . . . 99.99 109.707 -165.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -136.42 138.77 41.86 Favored 'General case' 0 C--N 1.383 2.034 0 CA-C-N 113.326 -1.761 . . . . 99.99 107.685 -172.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -74.8 170.41 15.94 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 123.572 1.653 . . . . 99.99 109.748 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.56 -27.24 69.04 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-N 114.392 -1.276 . . . . 99.99 112.395 -173.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.625 ' OE2' ' NZ ' ' A' ' 122' ' ' LYS . 6.5 mp0 -75.95 -10.23 59.26 Favored 'General case' 0 C--N 1.374 1.656 0 CA-C-N 114.455 -1.248 . . . . 99.99 113.603 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.21 14.5 58.83 Favored Glycine 0 C--N 1.374 2.678 0 N-CA-C 115.718 1.047 . . . . 99.99 115.718 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.93 147.74 23.66 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 107.198 -1.408 . . . . 99.99 107.198 176.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.7 mtt-85 -96.24 -62.12 1.33 Allowed 'General case' 0 C--N 1.38 1.904 0 CA-C-O 123.135 1.445 . . . . 99.99 108.59 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.0 m -93.04 108.92 20.39 Favored 'General case' 0 C--N 1.381 1.946 0 N-CA-C 102.141 -3.281 . . . . 99.99 102.141 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.9 m -100.05 143.61 26.83 Favored Pre-proline 0 C--N 1.381 1.944 0 N-CA-C 106.312 -1.736 . . . . 99.99 106.312 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -68.7 135.76 34.0 Favored 'Trans proline' 0 C--N 1.383 2.357 0 C-N-CA 120.741 0.961 . . . . 99.99 111.348 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -82.89 58.59 4.42 Favored 'General case' 0 C--N 1.386 2.165 0 CA-C-N 114.965 -1.016 . . . . 99.99 109.026 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.9 mt -122.69 136.15 60.45 Favored 'Isoleucine or valine' 0 C--N 1.387 2.214 0 N-CA-C 105.68 -1.97 . . . . 99.99 105.68 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.9 mt -130.61 133.62 63.26 Favored 'Isoleucine or valine' 0 C--N 1.383 2.034 0 N-CA-C 104.199 -2.519 . . . . 99.99 104.199 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.79 130.44 25.79 Favored 'General case' 0 C--N 1.379 1.872 0 CA-C-O 122.872 1.32 . . . . 99.99 108.107 -176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -99.24 107.86 20.28 Favored 'General case' 0 C--N 1.383 2.042 0 N-CA-C 103.644 -2.725 . . . . 99.99 103.644 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.0 m -74.01 147.92 42.49 Favored 'General case' 0 C--N 1.377 1.803 0 N-CA-C 106.44 -1.689 . . . . 99.99 106.44 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.507 ' NE2' ' OD2' ' A' ' 45' ' ' ASP . 3.8 pm0 -58.38 -33.78 69.97 Favored 'General case' 0 C--N 1.387 2.217 0 CA-C-N 115.096 -0.956 . . . . 99.99 113.093 -161.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.507 ' OD2' ' NE2' ' A' ' 44' ' ' GLN . 27.5 m-20 -95.14 31.32 1.94 Allowed 'General case' 0 C--N 1.377 1.786 0 O-C-N 124.957 1.41 . . . . 99.99 111.342 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.82 -13.67 56.24 Favored Glycine 0 C--N 1.383 3.148 0 N-CA-C 117.392 1.717 . . . . 99.99 117.392 156.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -72.14 133.44 45.17 Favored 'General case' 0 C--N 1.377 1.778 0 CA-C-O 122.395 1.093 . . . . 99.99 108.498 -174.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 m -100.94 108.61 20.39 Favored 'General case' 0 C--N 1.381 1.96 0 N-CA-C 106.097 -1.816 . . . . 99.99 106.097 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -110.63 152.97 25.84 Favored 'General case' 0 C--N 1.38 1.894 0 CA-C-O 123.823 1.773 . . . . 99.99 108.553 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -136.51 142.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 CA-C-N 112.465 -2.152 . . . . 99.99 105.592 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.69 -137.33 14.21 Favored Glycine 0 C--N 1.378 2.863 0 CA-C-O 124.381 2.101 . . . . 99.99 113.984 167.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -57.35 -47.26 99.32 Favored Pre-proline 0 C--N 1.385 2.113 0 CA-C-N 113.218 -1.491 . . . . 99.99 111.066 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.5 -1.4 9.7 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-N 121.436 1.549 . . . . 99.99 114.784 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.46 -35.39 13.67 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 115.93 -0.577 . . . . 99.99 111.46 166.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.656 ' NZ ' ' OE2' ' A' ' 264' ' ' GLU . 15.2 ttpp -70.07 -47.21 62.89 Favored 'General case' 0 C--N 1.392 2.452 0 CA-C-O 121.789 0.804 . . . . 99.99 109.26 172.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -60.25 -14.03 15.69 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 115.998 1.851 . . . . 99.99 115.998 -168.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -118.16 12.07 13.43 Favored 'General case' 0 C--N 1.375 1.704 0 CA-C-N 115.789 -0.641 . . . . 99.99 112.136 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.55 -19.98 65.91 Favored 'General case' 0 C--N 1.384 2.07 0 N-CA-C 114.641 1.348 . . . . 99.99 114.641 -165.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 79.2 t -78.38 -22.97 13.34 Favored 'Isoleucine or valine' 0 C--N 1.377 1.782 0 CA-C-N 114.853 -1.067 . . . . 99.99 109.607 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.3 p -85.98 -26.21 25.59 Favored 'General case' 0 C--N 1.381 1.942 0 N-CA-C 113.429 0.9 . . . . 99.99 113.429 -167.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -151.22 58.49 2.85 Favored Pre-proline 0 C--N 1.383 2.031 0 CA-C-O 121.674 0.75 . . . . 99.99 110.728 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -66.11 -29.38 48.05 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 121.135 1.223 . . . . 99.99 114.124 -167.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -66.44 -19.32 65.76 Favored 'General case' 0 C--N 1.384 2.092 0 CA-C-O 121.457 0.646 . . . . 99.99 110.507 -173.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -123.03 28.44 7.19 Favored 'General case' 0 C--N 1.383 2.046 0 CA-C-N 114.412 -1.267 . . . . 99.99 109.78 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.0 m -112.62 127.15 56.02 Favored 'General case' 0 C--N 1.389 2.298 0 N-CA-C 104.802 -2.295 . . . . 99.99 104.802 173.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.0 mt -115.04 119.55 36.84 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 105.206 -2.146 . . . . 99.99 105.206 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -141.46 153.43 44.96 Favored 'General case' 0 C--N 1.383 2.023 0 CA-C-N 113.049 -1.887 . . . . 99.99 107.833 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 68.89 34.39 3.25 Favored 'General case' 0 C--N 1.386 2.191 0 CA-C-N 112.985 -1.916 . . . . 99.99 113.996 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.96 -14.44 18.26 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 O-C-N 121.265 -0.897 . . . . 99.99 113.049 -170.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.691 ' NZ ' ' OE2' ' A' ' 171' ' ' GLU . 24.8 ttmt -62.62 -21.27 65.53 Favored 'General case' 0 C--N 1.389 2.284 0 O-C-N 121.55 -0.719 . . . . 99.99 110.621 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -73.29 -26.23 60.99 Favored 'General case' 0 C--N 1.383 2.063 0 CA-C-O 121.501 0.667 . . . . 99.99 111.611 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.9 mt -108.1 -18.43 13.78 Favored 'General case' 0 C--N 1.382 2.021 0 CA-C-N 115.463 -0.789 . . . . 99.99 113.122 -169.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 tp -44.23 -35.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.892 0 C-N-CA 126.609 1.964 . . . . 99.99 116.116 -152.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -154.61 46.52 0.54 Allowed Glycine 0 C--N 1.374 2.661 0 CA-C-N 113.625 -1.625 . . . . 99.99 110.994 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -112.87 168.64 9.52 Favored 'General case' 0 C--N 1.384 2.091 0 N-CA-C 106.258 -1.756 . . . . 99.99 106.258 171.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -115.61 159.51 21.2 Favored 'General case' 0 C--N 1.383 2.025 0 N-CA-C 106.767 -1.568 . . . . 99.99 106.767 -168.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -55.33 -40.2 70.92 Favored 'General case' 0 C--N 1.378 1.837 0 CA-C-O 122.145 0.974 . . . . 99.99 113.354 -166.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -97.99 101.72 13.28 Favored 'General case' 0 C--N 1.388 2.244 0 N-CA-C 106.75 -1.574 . . . . 99.99 106.75 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.07 162.18 31.53 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 103.16 -2.904 . . . . 99.99 103.16 -177.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -81.08 -18.69 45.7 Favored 'General case' 0 C--N 1.381 1.973 0 N-CA-C 112.958 0.725 . . . . 99.99 112.958 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.552 ' OE1' ' NE ' ' A' ' 84' ' ' ARG . 32.4 tp10 -90.27 -48.04 7.4 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 105.449 -2.056 . . . . 99.99 105.449 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.81 -41.06 91.08 Favored 'Isoleucine or valine' 0 C--N 1.382 1.997 0 C-N-CA 118.944 -1.103 . . . . 99.99 108.765 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -65.38 -31.65 72.88 Favored 'General case' 0 C--N 1.39 2.339 0 C-N-CA 118.458 -1.297 . . . . 99.99 112.681 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.552 ' NE ' ' OE1' ' A' ' 81' ' ' GLU 0.289 10.5 ptt180 -79.25 -41.12 28.91 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 109.612 -0.514 . . . . 99.99 109.612 177.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.05 -42.24 80.18 Favored 'General case' 0 C--N 1.377 1.764 0 CA-C-O 122.056 0.932 . . . . 99.99 110.94 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.6 t -60.79 -22.9 27.58 Favored 'Isoleucine or valine' 0 C--N 1.381 1.962 0 O-C-N 121.197 -0.94 . . . . 99.99 111.373 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.7 p -85.89 -26.47 25.59 Favored 'General case' 0 C--N 1.381 1.94 0 CA-C-N 115.219 -0.901 . . . . 99.99 113.16 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.4 pt -113.67 -31.71 2.07 Favored 'Isoleucine or valine' 0 C--N 1.384 2.107 0 N-CA-C 114.643 1.349 . . . . 99.99 114.643 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 26.6 mmt -77.68 138.78 62.45 Favored Pre-proline 0 C--N 1.383 2.057 0 CA-C-O 122.691 1.234 . . . . 99.99 109.448 -168.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -76.56 -25.82 9.12 Favored 'Trans proline' 0 C--N 1.388 2.617 0 N-CA-C 114.581 0.954 . . . . 99.99 114.581 -174.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -83.1 149.28 27.0 Favored 'General case' 0 C--N 1.377 1.799 0 CA-C-O 123.639 1.685 . . . . 99.99 108.016 -175.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -77.4 95.4 4.42 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 124.635 2.16 . . . . 99.99 110.123 -171.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.58 144.3 11.36 Favored 'Isoleucine or valine' 0 C--N 1.39 2.343 0 CA-C-N 111.547 -2.57 . . . . 99.99 106.899 169.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.0 pt -139.65 166.32 21.15 Favored 'Isoleucine or valine' 0 C--N 1.386 2.191 0 CA-C-O 124.002 1.858 . . . . 99.99 110.622 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.29 134.06 34.53 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-N 112.65 -2.068 . . . . 99.99 106.327 168.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.13 161.82 27.1 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-O 124.429 2.062 . . . . 99.99 110.824 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.618 ' OD1' ' NZ ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -58.86 -13.7 6.97 Favored 'General case' 0 C--N 1.376 1.747 0 CA-C-N 111.984 -2.371 . . . . 99.99 114.142 175.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -106.99 2.5 25.2 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-O 122.708 1.242 . . . . 99.99 113.383 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.87 2.14 78.85 Favored Glycine 0 C--N 1.379 2.918 0 O-C-N 120.565 -1.334 . . . . 99.99 115.36 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.04 158.87 27.25 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-O 123.174 1.464 . . . . 99.99 107.736 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.46 114.69 27.29 Favored 'General case' 0 C--N 1.385 2.13 0 N-CA-C 106.642 -1.614 . . . . 99.99 106.642 172.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 1.003 ' CZ3' ' CZ2' ' A' ' 102' ' ' TRP . 14.9 m0 -127.52 173.11 10.12 Favored 'General case' 0 C--N 1.383 2.052 0 CA-C-N 113.581 -1.645 . . . . 99.99 107.504 -172.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.6 m -117.98 152.15 20.0 Favored 'Isoleucine or valine' 0 C--N 1.384 2.083 0 CA-C-O 122.484 1.135 . . . . 99.99 108.459 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -115.54 124.13 50.24 Favored 'General case' 0 C--N 1.382 2.018 0 N-CA-C 104.353 -2.462 . . . . 99.99 104.353 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.2 t -134.17 125.42 47.99 Favored 'Isoleucine or valine' 0 C--N 1.386 2.184 0 N-CA-C 106.56 -1.645 . . . . 99.99 106.56 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.495 ' NZ ' ' O ' ' A' ' 44' ' ' GLN . 20.7 mtpp 50.89 22.86 1.26 Allowed 'General case' 0 C--N 1.383 2.051 0 N-CA-C 114.667 1.358 . . . . 99.99 114.667 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.33 -11.37 59.98 Favored Glycine 0 C--N 1.386 3.312 0 N-CA-C 116.609 1.403 . . . . 99.99 116.609 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -101.58 140.15 36.26 Favored 'General case' 0 C--N 1.383 2.028 0 CA-C-O 122.378 1.085 . . . . 99.99 110.433 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.618 ' NZ ' ' OD1' ' A' ' 97' ' ' ASP . 46.1 mtmt -87.86 132.25 34.26 Favored 'General case' 0 C--N 1.39 2.328 0 CA-C-N 113.479 -1.692 . . . . 99.99 108.378 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 71.4 mtm -140.11 152.04 45.81 Favored 'General case' 0 C--N 1.387 2.222 0 CA-C-O 123.273 1.511 . . . . 99.99 112.098 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.28 126.79 38.51 Favored Pre-proline 0 C--N 1.391 2.381 0 CA-C-N 112.222 -2.263 . . . . 99.99 106.155 -174.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -59.54 -21.23 61.1 Favored 'Trans proline' 0 C--N 1.377 2.05 0 N-CA-C 119.439 2.823 . . . . 99.99 119.439 -166.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -56.82 -31.5 88.81 Favored 'Trans proline' 0 C--N 1.377 2.063 0 CA-C-N 121.429 1.546 . . . . 99.99 112.453 166.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -67.15 -40.48 86.68 Favored 'General case' 0 C--N 1.384 2.088 0 N-CA-C 107.842 -1.17 . . . . 99.99 107.842 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.7 mm -70.69 -55.32 14.68 Favored 'Isoleucine or valine' 0 C--N 1.383 2.049 0 N-CA-C 106.49 -1.67 . . . . 99.99 106.49 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.1 m -59.24 -23.41 62.31 Favored 'General case' 0 C--N 1.383 2.06 0 CA-C-O 121.658 0.742 . . . . 99.99 111.693 -175.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.67 -26.27 63.66 Favored 'General case' 0 C--N 1.379 1.851 0 N-CA-C 113.04 0.756 . . . . 99.99 113.04 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -73.02 -19.12 61.26 Favored 'General case' 0 C--N 1.386 2.174 0 CA-C-O 122.163 0.982 . . . . 99.99 111.123 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.6 -48.1 42.1 Favored 'Isoleucine or valine' 0 C--N 1.385 2.13 0 N-CA-C 105.284 -2.117 . . . . 99.99 105.284 171.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.44 -39.65 89.0 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-N 114.847 -1.07 . . . . 99.99 109.741 -173.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -61.33 -39.55 90.96 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-O 122.009 0.909 . . . . 99.99 110.386 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.625 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 51.2 tttp -68.35 -42.97 78.47 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 119.519 -0.872 . . . . 99.99 109.648 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 36.9 mmt -63.34 -40.45 97.33 Favored 'General case' 0 C--N 1.388 2.258 0 CA-C-O 122.451 1.12 . . . . 99.99 110.213 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.64 ' NZ ' ' OE2' ' A' ' 128' ' ' GLU . 52.6 tttm -61.22 -49.95 75.08 Favored 'General case' 0 C--N 1.377 1.801 0 CA-C-N 114.664 -1.153 . . . . 99.99 108.855 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.642 ' NZ ' ' OD1' ' A' ' 129' ' ' ASP . 28.0 tptp -56.51 -46.49 80.51 Favored 'General case' 0 C--N 1.385 2.131 0 CA-C-N 115.1 -0.955 . . . . 99.99 109.847 176.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.1 m -57.83 -42.92 85.37 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 121.925 0.869 . . . . 99.99 110.654 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.23 72.26 Favored 'General case' 0 C--N 1.383 2.05 0 CA-C-O 121.612 0.72 . . . . 99.99 111.213 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.64 ' OE2' ' NZ ' ' A' ' 124' ' ' LYS . 89.8 mt-10 -59.36 -40.56 86.85 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-O 122.709 1.243 . . . . 99.99 109.745 -176.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.642 ' OD1' ' NZ ' ' A' ' 125' ' ' LYS . 85.9 m-20 -62.57 -28.46 69.89 Favored 'General case' 0 C--N 1.384 2.083 0 CA-C-N 114.501 -1.227 . . . . 99.99 112.688 -176.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -82.74 -43.43 16.8 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-O 122.121 0.963 . . . . 99.99 109.953 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.98 -37.06 58.96 Favored 'General case' 0 C--N 1.382 2.008 0 CA-C-N 115.184 -0.917 . . . . 99.99 110.977 -173.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.27 -24.92 16.64 Favored Glycine 0 C--N 1.376 2.785 0 CA-C-N 115.325 -0.852 . . . . 99.99 114.19 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -94.21 152.97 40.67 Favored Pre-proline 0 C--N 1.376 1.725 0 N-CA-C 107.616 -1.253 . . . . 99.99 107.616 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.03 133.71 18.53 Favored 'Trans proline' 0 C--N 1.381 2.238 0 CA-C-O 124.238 1.682 . . . . 99.99 110.43 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.532 ' O ' ' NZ ' ' A' ' 124' ' ' LYS . 49.2 t -95.18 148.89 4.76 Favored 'Isoleucine or valine' 0 C--N 1.378 1.805 0 N-CA-C 102.428 -3.175 . . . . 99.99 102.428 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.21 11.16 3.55 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-O 123.01 1.386 . . . . 99.99 112.925 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.642 ' OE1' ' N ' ' A' ' 4' ' ' ILE . 53.7 mt-10 -145.0 150.38 36.81 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 123.839 0.856 . . . . 99.99 109.495 -164.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -142.88 160.59 40.05 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-O 124.002 1.858 . . . . 99.99 113.498 171.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 30.2 t -119.88 145.11 26.63 Favored 'Isoleucine or valine' 0 C--N 1.386 2.184 0 N-CA-C 104.119 -2.549 . . . . 99.99 104.119 150.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.7 mt -138.1 146.25 27.33 Favored 'Isoleucine or valine' 0 C--N 1.387 2.225 0 CA-C-N 113.098 -1.864 . . . . 99.99 107.167 -172.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' THR . . . . . 0.448 ' OG1' ' OD1' ' A' ' 8' ' ' ASP . 33.8 p -88.38 152.14 22.11 Favored 'General case' 0 C--N 1.379 1.857 0 CA-C-N 113.092 -1.867 . . . . 99.99 112.318 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.0 m -149.87 161.76 30.28 Favored Pre-proline 0 C--N 1.392 2.445 0 CA-C-N 114.202 -1.363 . . . . 99.99 110.081 166.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -63.96 170.58 8.67 Favored 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-O 124.666 1.861 . . . . 99.99 111.943 167.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.6 -23.65 42.54 Favored 'General case' 0 C--N 1.392 2.444 0 CA-C-N 114.062 -1.426 . . . . 99.99 114.177 -175.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -97.87 14.37 27.36 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 114.486 1.291 . . . . 99.99 114.486 -171.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -82.19 139.67 34.16 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 122.89 1.329 . . . . 99.99 108.356 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -91.32 -177.96 5.0 Favored 'General case' 0 C--N 1.386 2.183 0 CA-C-N 113.51 -1.677 . . . . 99.99 109.602 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.87 -34.65 76.37 Favored 'General case' 0 C--N 1.38 1.925 0 CA-C-N 114.489 -1.232 . . . . 99.99 112.311 -174.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -69.61 -39.92 76.92 Favored 'General case' 0 C--N 1.38 1.921 0 N-CA-C 107.79 -1.189 . . . . 99.99 107.79 -176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -73.71 -36.09 65.2 Favored 'General case' 0 C--N 1.386 2.154 0 CA-C-N 114.767 -1.106 . . . . 99.99 110.076 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -67.35 -43.36 81.69 Favored 'General case' 0 C--N 1.385 2.116 0 O-C-N 121.561 -0.712 . . . . 99.99 110.346 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.497 ' OE1' ' NZ ' ' A' ' 155' ' ' LYS . 67.0 tp60 -69.52 -37.05 76.97 Favored 'General case' 0 C--N 1.384 2.066 0 O-C-N 121.746 -0.596 . . . . 99.99 110.189 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -55.36 -37.15 67.13 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-O 122.492 1.139 . . . . 99.99 112.161 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.5 m -71.04 -35.74 72.08 Favored 'General case' 0 C--N 1.384 2.1 0 CA-C-N 115.448 -0.796 . . . . 99.99 110.647 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . 0.497 ' NZ ' ' OE1' ' A' ' 152' ' ' GLN . 29.1 mtpt -69.04 -37.54 78.65 Favored 'General case' 0 C--N 1.379 1.877 0 CA-C-O 121.909 0.861 . . . . 99.99 110.208 177.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.481 ' OD1' ' NE2' ' A' ' 152' ' ' GLN . 9.1 m-20 -62.02 -44.09 97.46 Favored 'General case' 0 C--N 1.379 1.889 0 CA-C-N 114.82 -1.082 . . . . 99.99 108.135 175.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -58.28 -35.29 71.57 Favored 'General case' 0 C--N 1.387 2.229 0 CA-C-O 122.317 1.056 . . . . 99.99 111.407 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -63.12 -50.95 58.94 Favored Glycine 0 C--N 1.38 3.028 0 CA-C-O 122.313 0.952 . . . . 99.99 112.448 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.93 -39.26 88.77 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 120.317 -0.553 . . . . 99.99 110.574 -174.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 69.2 mt -63.61 -22.79 31.74 Favored 'Isoleucine or valine' 0 C--N 1.377 1.786 0 CA-C-O 121.597 0.713 . . . . 99.99 110.304 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -90.65 -2.47 57.85 Favored 'General case' 0 C--N 1.38 1.914 0 CA-C-O 121.769 0.795 . . . . 99.99 112.615 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 75.17 27.16 64.62 Favored Glycine 0 C--N 1.382 3.12 0 CA-C-O 121.83 0.683 . . . . 99.99 112.153 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 42.3 mt -112.93 115.96 29.24 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 106.698 -1.593 . . . . 99.99 106.698 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . 0.599 ' OE1' ' NZ ' ' A' ' 166' ' ' LYS . 21.7 mt-10 -76.09 129.63 37.11 Favored 'General case' 0 C--N 1.377 1.783 0 C-N-CA 118.648 -1.221 . . . . 99.99 108.726 171.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 39.3 t -93.71 103.04 14.26 Favored 'Isoleucine or valine' 0 C--N 1.379 1.848 0 N-CA-C 105.647 -1.983 . . . . 99.99 105.647 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.599 ' NZ ' ' OE1' ' A' ' 164' ' ' GLU . 68.4 mmtt -87.1 -6.69 58.59 Favored 'General case' 0 C--N 1.395 2.567 0 CA-C-N 112.678 -2.055 . . . . 99.99 111.822 -168.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -172.83 154.88 3.03 Favored 'General case' 0 C--N 1.381 1.939 0 N-CA-C 103.75 -2.685 . . . . 99.99 103.75 167.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 15.7 tt -132.33 119.14 38.54 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 N-CA-C 104.742 -2.318 . . . . 99.99 104.742 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 32.2 pt -119.05 162.82 16.85 Favored 'Isoleucine or valine' 0 C--N 1.38 1.917 0 CA-C-O 124.871 2.272 . . . . 99.99 109.119 -166.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -92.48 148.88 21.75 Favored 'General case' 0 C--N 1.377 1.8 0 CA-C-N 111.841 -2.436 . . . . 99.99 107.288 -170.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.691 ' OE2' ' NZ ' ' A' ' 70' ' ' LYS . 37.7 mt-10 -58.16 -45.0 99.77 Favored Pre-proline 0 C--N 1.375 1.703 0 CA-C-N 113.133 -1.849 . . . . 99.99 112.064 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -62.72 -34.1 74.6 Favored 'Trans proline' 0 C--N 1.378 2.099 0 CA-C-N 121.259 1.486 . . . . 99.99 114.409 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.2 m -68.9 -45.34 71.18 Favored 'General case' 0 C--N 1.382 2.002 0 N-CA-C 105.082 -2.192 . . . . 99.99 105.082 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.35 88.0 Favored 'General case' 0 C--N 1.385 2.146 0 CA-C-N 113.017 -1.901 . . . . 99.99 109.815 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.04 -49.62 73.21 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 120.639 -0.424 . . . . 99.99 111.082 173.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.61 96.65 Favored 'General case' 0 C--N 1.382 1.997 0 CA-C-O 121.939 0.876 . . . . 99.99 112.952 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.67 -41.76 99.25 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-O 123.19 1.471 . . . . 99.99 109.26 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -59.36 -36.38 75.64 Favored 'General case' 0 C--N 1.382 1.992 0 N-CA-C 114.57 1.322 . . . . 99.99 114.57 -170.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -91.36 12.35 20.77 Favored 'General case' 0 C--N 1.382 1.998 0 CA-C-N 115.434 -0.803 . . . . 99.99 111.304 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 91.34 14.39 57.31 Favored Glycine 0 C--N 1.388 3.461 0 N-CA-C 118.206 2.042 . . . . 99.99 118.206 168.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 7.8 mp -89.42 53.66 2.69 Favored 'General case' 0 C--N 1.377 1.777 0 CA-C-O 123.604 1.669 . . . . 99.99 109.773 -171.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.58 -28.4 21.96 Favored 'General case' 0 C--N 1.384 2.095 0 CA-C-N 112.72 -2.036 . . . . 99.99 110.891 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -172.22 169.69 5.36 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-N 113.91 -1.495 . . . . 99.99 109.052 -167.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 93.78 27.0 13.4 Favored Glycine 0 C--N 1.385 3.288 0 CA-C-N 114.511 -1.222 . . . . 99.99 113.952 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.49 166.65 32.03 Favored 'General case' 0 C--N 1.374 1.635 0 N-CA-C 101.863 -3.384 . . . . 99.99 101.863 167.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -82.79 -32.81 26.02 Favored Glycine 0 C--N 1.374 2.693 0 C-N-CA 119.699 -1.239 . . . . 99.99 111.596 171.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -156.63 143.05 18.34 Favored 'General case' 0 C--N 1.378 1.825 0 N-CA-C 103.903 -2.628 . . . . 99.99 103.903 -173.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -141.02 139.51 34.16 Favored 'General case' 0 C--N 1.382 2.011 0 CA-C-O 122.87 1.319 . . . . 99.99 109.074 161.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' THR . . . . . 0.409 ' OG1' ' OE1' ' A' ' 206' ' ' GLU . 61.6 m -109.64 116.51 31.86 Favored 'General case' 0 C--N 1.382 2.0 0 N-CA-C 103.809 -2.663 . . . . 99.99 103.809 176.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' ILE . . . . . . . . . . . . . 54.6 mt -113.24 145.08 19.63 Favored 'Isoleucine or valine' 0 C--N 1.385 2.112 0 CA-C-N 112.955 -1.93 . . . . 99.99 107.267 -169.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -112.98 123.48 50.43 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-N 113.162 -1.836 . . . . 99.99 107.433 165.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.45 113.18 42.42 Favored 'Isoleucine or valine' 0 C--N 1.385 2.121 0 CA-C-N 114.304 -1.316 . . . . 99.99 107.63 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -104.41 108.32 19.68 Favored 'General case' 0 C--N 1.383 2.06 0 N-CA-C 104.079 -2.563 . . . . 99.99 104.079 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -111.95 110.72 21.2 Favored 'General case' 0 C--N 1.384 2.089 0 N-CA-C 106.25 -1.759 . . . . 99.99 106.25 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.2 tp -125.79 91.03 3.31 Favored 'General case' 0 C--N 1.392 2.44 0 N-CA-C 106.057 -1.831 . . . . 99.99 106.057 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -88.45 -140.44 7.19 Favored Glycine 0 C--N 1.384 3.197 0 CA-C-N 111.752 -2.476 . . . . 99.99 113.849 -160.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' GLY . . . . . . . . . . . . . . . -86.55 -34.77 11.24 Favored Glycine 0 C--N 1.386 3.316 0 CA-C-N 113.197 -1.502 . . . . 99.99 111.846 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -159.54 36.52 0.48 Allowed Glycine 0 C--N 1.387 3.415 0 CA-C-N 114.546 -0.827 . . . . 99.99 112.562 -175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -169.17 159.68 9.18 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-N 112.656 -1.772 . . . . 99.99 108.685 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -135.46 134.05 39.19 Favored 'General case' 0 C--N 1.389 2.313 0 CA-C-N 111.279 -2.692 . . . . 99.99 107.474 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -137.09 143.27 42.48 Favored 'General case' 0 C--N 1.384 2.072 0 CA-C-O 124.515 2.103 . . . . 99.99 106.761 172.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 2.3 tp -120.1 127.87 75.92 Favored 'Isoleucine or valine' 0 C--N 1.385 2.117 0 N-CA-C 101.57 -3.493 . . . . 99.99 101.57 166.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' SER . . . . . . . . . . . . . 31.7 m -134.71 122.73 22.6 Favored 'General case' 0 C--N 1.377 1.786 0 N-CA-C 106.779 -1.563 . . . . 99.99 106.779 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ILE . . . . . . . . . . . . . 17.5 mt -106.37 126.33 62.05 Favored 'Isoleucine or valine' 0 C--N 1.385 2.145 0 N-CA-C 102.89 -3.004 . . . . 99.99 102.89 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 26.8 pt -138.21 150.69 24.62 Favored 'Isoleucine or valine' 0 C--N 1.385 2.152 0 CA-C-N 111.63 -2.532 . . . . 99.99 107.55 -166.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . 0.409 ' OE1' ' OG1' ' A' ' 189' ' ' THR . 10.7 mm-40 -117.9 132.29 56.43 Favored 'General case' 0 C--N 1.383 2.053 0 CA-C-N 112.775 -2.011 . . . . 99.99 105.702 -177.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 24.7 mm -119.36 114.85 45.84 Favored 'Isoleucine or valine' 0 C--N 1.386 2.187 0 N-CA-C 104.339 -2.467 . . . . 99.99 104.339 173.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -120.29 137.98 53.95 Favored 'General case' 0 C--N 1.377 1.776 0 N-CA-C 105.495 -2.039 . . . . 99.99 105.495 -175.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -112.3 -5.81 14.12 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-N 113.757 -1.565 . . . . 99.99 110.051 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 38.3 t -80.62 -5.48 8.51 Favored 'Isoleucine or valine' 0 C--N 1.388 2.251 0 O-C-N 120.517 -1.364 . . . . 99.99 112.702 -168.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -91.34 11.86 22.32 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-O 121.782 0.801 . . . . 99.99 111.483 170.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' GLY . . . . . . . . . . . . . . . 98.39 52.26 1.35 Allowed Glycine 0 C--N 1.383 3.141 0 CA-C-N 114.864 -1.062 . . . . 99.99 111.175 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 62.38 41.66 9.84 Favored 'General case' 0 C--N 1.382 2.012 0 CA-C-N 113.424 -1.388 . . . . 99.99 110.248 170.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' LYS . . . . . 0.654 ' O ' ' NZ ' ' A' ' 214' ' ' LYS . 0.0 OUTLIER -163.73 84.7 0.47 Allowed 'General case' 0 C--N 1.395 2.572 0 N-CA-C 115.067 1.506 . . . . 99.99 115.067 176.251 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' THR . . . . . 0.463 ' OG1' ' NZ ' ' A' ' 214' ' ' LYS . 0.3 OUTLIER -157.65 131.21 7.86 Favored 'General case' 0 C--N 1.378 1.806 0 C-N-CA 117.997 -1.481 . . . . 99.99 113.731 139.349 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -118.61 102.33 8.79 Favored 'General case' 0 C--N 1.391 2.396 0 N-CA-C 104.831 -2.285 . . . . 99.99 104.831 171.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -125.41 146.65 49.51 Favored 'General case' 0 C--N 1.385 2.124 0 CA-C-O 122.375 1.083 . . . . 99.99 111.284 -171.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . . . . . . . . . 87.8 t -98.73 120.46 48.08 Favored 'Isoleucine or valine' 0 C--N 1.391 2.406 0 N-CA-C 106.279 -1.749 . . . . 99.99 106.279 176.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 40.7 tp -90.57 -46.13 8.49 Favored 'General case' 0 C--N 1.386 2.169 0 CA-C-N 114.973 -1.012 . . . . 99.99 109.334 -171.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -157.54 137.48 12.42 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 114.504 -1.225 . . . . 99.99 108.232 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' THR . . . . . . . . . . . . . 3.7 m -133.36 146.55 51.38 Favored 'General case' 0 C--N 1.382 2.005 0 N-CA-C 106.653 -1.61 . . . . 99.99 106.653 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -157.26 169.71 24.12 Favored 'General case' 0 C--N 1.383 2.064 0 N-CA-C 105.541 -2.022 . . . . 99.99 105.541 170.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 179.93 179.38 48.8 Favored Glycine 0 C--N 1.37 2.458 0 N-CA-C 107.946 -2.061 . . . . 99.99 107.946 -167.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 225' ' ' THR . 68.1 t0 -151.76 155.18 37.74 Favored 'General case' 0 C--N 1.373 1.625 0 CA-C-O 126.149 2.88 . . . . 99.99 107.03 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' THR . . . . . 0.52 ' N ' ' OD1' ' A' ' 224' ' ' ASP . 23.1 m -95.2 -35.47 11.83 Favored 'General case' 0 C--N 1.37 1.46 1 CA-C-N 107.483 -4.417 . . . . 99.99 108.067 -155.368 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . 0.464 ' ND1' ' OE2' ' A' ' 230' ' ' GLU . 88.6 m-70 -143.44 66.93 1.29 Allowed 'General case' 0 C--N 1.387 2.238 0 N-CA-C 104.987 -2.227 . . . . 99.99 104.987 -174.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' LEU . . . . . . . . . . . . . 7.9 tt -116.83 141.95 47.56 Favored 'General case' 0 C--N 1.384 2.084 0 CA-C-O 122.668 1.223 . . . . 99.99 110.736 -174.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . 77.08 -154.68 43.32 Favored Glycine 0 C--N 1.39 3.534 0 N-CA-C 106.181 -2.767 . . . . 99.99 106.181 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . . . . . . . . . . . 49.63 -93.68 0.01 OUTLIER Glycine 0 C--N 1.376 2.789 0 CA-C-O 124.465 2.147 . . . . 99.99 115.807 155.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' GLU . . . . . 0.464 ' OE2' ' ND1' ' A' ' 226' ' ' HIS 0.252 6.4 pt-20 -66.12 -31.14 71.81 Favored 'General case' 0 C--N 1.391 2.381 0 CA-C-N 113.471 -1.364 . . . . 99.99 113.288 -160.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -92.22 -10.64 37.89 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-O 121.873 0.844 . . . . 99.99 111.922 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.26 -50.14 4.45 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-O 123.182 1.468 . . . . 99.99 108.032 -173.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -69.7 -28.8 66.14 Favored 'General case' 0 C--N 1.377 1.776 0 N-CA-C 103.803 -2.666 . . . . 99.99 103.803 -171.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 19.4 m -62.29 -23.19 66.59 Favored 'General case' 0 C--N 1.39 2.339 0 N-CA-C 114.136 1.162 . . . . 99.99 114.136 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -74.02 -41.9 61.16 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 106.008 -1.849 . . . . 99.99 106.008 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.21 -46.79 48.37 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-N 113.709 -1.587 . . . . 99.99 109.99 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' ILE . . . . . . . . . . . . . 5.1 mm -52.02 -46.72 42.57 Favored 'Isoleucine or valine' 0 C--N 1.388 2.274 0 N-CA-C 106.968 -1.494 . . . . 99.99 106.968 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -69.11 -36.11 77.17 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-N 114.283 -1.326 . . . . 99.99 112.728 -172.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -60.98 -44.3 97.55 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-O 122.222 1.011 . . . . 99.99 109.034 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' LEU . . . . . . . . . . . . . 41.7 mt -65.54 -35.84 82.03 Favored 'General case' 0 C--N 1.384 2.099 0 CA-C-N 114.841 -1.072 . . . . 99.99 109.756 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.64 -55.36 24.26 Favored 'Isoleucine or valine' 0 C--N 1.386 2.179 0 N-CA-C 108.869 -0.789 . . . . 99.99 108.869 172.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' GLU . . . . . 0.653 ' OE1' ' NZ ' ' A' ' 245' ' ' LYS . 72.4 mm-40 -67.34 -28.17 67.75 Favored 'General case' 0 C--N 1.386 2.183 0 C-N-CA 117.702 -1.599 . . . . 99.99 112.151 -171.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' GLU . . . . . 0.677 ' OE1' ' NZ ' ' A' ' 246' ' ' LYS . 1.4 tp10 -67.02 -44.42 80.32 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-O 122.74 1.257 . . . . 99.99 108.844 175.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -64.38 -42.63 96.06 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-O 122.458 1.123 . . . . 99.99 110.253 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' LYS . . . . . 0.653 ' NZ ' ' OE1' ' A' ' 242' ' ' GLU . 24.0 ttpt -60.47 -37.24 80.39 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-O 122.613 1.197 . . . . 99.99 109.699 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' LYS . . . . . 0.677 ' NZ ' ' OE1' ' A' ' 243' ' ' GLU . 28.7 ttmt -71.95 -51.91 19.74 Favored 'General case' 0 C--N 1.377 1.788 0 CA-C-N 113.832 -1.531 . . . . 99.99 109.665 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.51 -44.4 64.74 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 120.307 -0.557 . . . . 99.99 111.317 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -116.25 3.8 13.46 Favored 'General case' 0 C--N 1.387 2.237 0 N-CA-C 116.428 2.01 . . . . 99.99 116.428 -166.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' GLY . . . . . . . . . . . . . . . 68.74 21.83 75.1 Favored Glycine 0 C--N 1.38 3.008 0 N-CA-C 115.812 1.085 . . . . 99.99 115.812 164.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' ILE . . . . . . . . . . . . . 21.1 mm -141.47 144.93 25.34 Favored 'Isoleucine or valine' 0 C--N 1.379 1.874 0 N-CA-C 106.391 -1.707 . . . . 99.99 106.391 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 252' ' ' LEU . 19.4 t0 -92.44 161.62 14.57 Favored 'General case' 0 C--N 1.383 2.03 0 CA-C-O 123.499 1.618 . . . . 99.99 110.009 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' LEU . . . . . 0.481 ' N ' ' OD1' ' A' ' 251' ' ' ASP . 6.6 mp -124.06 -22.34 4.84 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 110.856 -2.884 . . . . 99.99 111.163 -177.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.88 -15.06 62.6 Favored 'General case' 0 C--N 1.388 2.27 0 CA-C-O 123.022 1.391 . . . . 99.99 110.95 -174.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -80.46 -17.34 51.99 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 113.148 -1.842 . . . . 99.99 112.439 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -108.81 112.42 60.34 Favored Pre-proline 0 C--N 1.376 1.749 0 N-CA-C 107.476 -1.305 . . . . 99.99 107.476 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -66.87 -23.88 47.05 Favored 'Trans proline' 0 C--N 1.385 2.498 0 N-CA-C 115.384 1.263 . . . . 99.99 115.384 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' LEU . . . . . . . . . . . . . 6.0 tt -87.48 -44.66 11.13 Favored 'General case' 0 C--N 1.376 1.74 0 N-CA-C 105.262 -2.125 . . . . 99.99 105.262 -169.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' ALA . . . . . . . . . . . . . . . -64.31 -38.73 92.06 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 114.602 -1.181 . . . . 99.99 109.563 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' MET . . . . . . . . . . . . . 24.1 mmt -60.11 -47.11 87.26 Favored 'General case' 0 C--N 1.382 1.989 0 C-N-CA 119.707 -0.797 . . . . 99.99 109.469 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.14 -43.64 94.62 Favored 'General case' 0 C--N 1.381 1.945 0 CA-C-O 121.593 0.711 . . . . 99.99 110.919 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -68.01 -41.02 82.84 Favored 'General case' 0 C--N 1.388 2.266 0 CA-C-N 115.475 -0.784 . . . . 99.99 110.443 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 17.5 tp -61.38 -41.29 96.87 Favored 'General case' 0 C--N 1.387 2.225 0 C-N-CA 119.01 -1.076 . . . . 99.99 110.244 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.4 -61.26 2.46 Favored 'General case' 0 C--N 1.378 1.821 0 CA-C-O 121.161 0.505 . . . . 99.99 110.172 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' GLU . . . . . 0.656 ' OE2' ' NZ ' ' A' ' 55' ' ' LYS . 14.0 mt-10 -58.44 -40.68 83.21 Favored 'General case' 0 C--N 1.388 2.279 0 CA-C-O 121.523 0.678 . . . . 99.99 111.483 -176.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' ALA . . . . . . . . . . . . . . . -70.62 -44.72 66.64 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 119.592 -0.843 . . . . 99.99 112.399 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -72.53 -32.67 66.3 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-O 121.773 0.797 . . . . 99.99 110.968 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -65.91 -33.42 75.8 Favored 'General case' 0 C--N 1.386 2.153 0 CA-C-N 114.982 -1.008 . . . . 99.99 109.86 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . 0.713 ' NZ ' ' OE2' ' A' ' 272' ' ' GLU . 62.4 tttm -69.93 -47.07 63.84 Favored 'General case' 0 C--N 1.384 2.076 0 N-CA-C 107.777 -1.194 . . . . 99.99 107.777 174.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.62 88.65 Favored 'General case' 0 C--N 1.383 2.026 0 CA-C-O 121.122 0.487 . . . . 99.99 110.986 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -56.66 -38.56 72.36 Favored 'General case' 0 C--N 1.385 2.13 0 CA-C-O 122.639 1.209 . . . . 99.99 111.037 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' ILE . . . . . . . . . . . . . 72.4 mt -70.11 -24.32 26.09 Favored 'Isoleucine or valine' 0 C--N 1.386 2.154 0 CA-C-N 114.861 -1.063 . . . . 99.99 110.449 -175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' GLU . . . . . 0.713 ' OE2' ' NZ ' ' A' ' 268' ' ' LYS . 85.0 mt-10 -78.11 -41.28 35.59 Favored 'General case' 0 C--N 1.379 1.875 0 CA-C-O 122.028 0.918 . . . . 99.99 109.411 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' LEU . . . . . 0.417 ' O ' ' NE ' ' A' ' 302' ' ' ARG . 85.9 mt -70.39 -3.42 17.46 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 114.235 1.198 . . . . 99.99 114.235 -168.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 69.5 m -105.24 40.87 1.44 Allowed 'General case' 1 C--O 1.396 8.766 1 CA-C-O 108.777 -5.392 . . . . 99.99 108.343 175.249 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' SER . . . . . . . . . . . . . 52.3 p -175.77 0.23 0.01 OUTLIER 'General case' 1 C--N 1.448 4.86 1 O-C-N 109.694 -8.129 . . . . 99.99 108.812 -169.236 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -164.33 172.33 13.64 Favored 'General case' 0 C--N 1.378 1.817 0 N-CA-C 105.24 -2.133 . . . . 99.99 105.24 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -87.49 -30.91 20.28 Favored 'General case' 0 C--N 1.381 1.946 0 CA-C-N 115.211 -0.904 . . . . 99.99 111.017 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -153.32 155.76 37.08 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-O 122.122 0.963 . . . . 99.99 111.578 -168.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' THR . . . . . 0.414 ' OG1' ' OE1' ' A' ' 272' ' ' GLU . 5.7 t -158.58 158.0 33.06 Favored 'General case' 0 C--N 1.381 1.948 0 N-CA-C 104.552 -2.388 . . . . 99.99 104.552 171.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -111.91 126.27 54.93 Favored 'General case' 0 C--N 1.376 1.747 0 CA-C-O 122.946 1.355 . . . . 99.99 107.703 -171.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 86.4 t -92.58 89.41 2.82 Favored 'Isoleucine or valine' 0 C--N 1.386 2.193 0 N-CA-C 103.748 -2.686 . . . . 99.99 103.748 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -97.5 129.06 44.71 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 112.654 -2.066 . . . . 99.99 107.126 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 12.2 mt -144.15 102.12 4.81 Favored Pre-proline 0 C--N 1.378 1.814 0 N-CA-C 107.693 -1.225 . . . . 99.99 107.693 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -79.15 140.06 15.42 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 121.112 1.208 . . . . 99.99 109.021 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 52.02 71.42 0.46 Allowed 'General case' 0 C--N 1.386 2.157 0 CA-C-N 112.796 -2.002 . . . . 99.99 108.47 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.5 tp -92.29 -40.81 12.52 Favored 'Isoleucine or valine' 0 C--N 1.39 2.329 0 CA-C-N 114.648 -1.16 . . . . 99.99 110.148 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' THR . . . . . . . . . . . . . 19.7 p -156.62 166.22 34.01 Favored 'General case' 0 C--N 1.378 1.81 0 N-CA-C 105.762 -1.94 . . . . 99.99 105.762 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -149.33 149.69 31.29 Favored 'General case' 0 C--N 1.381 1.977 0 N-CA-C 108.236 -1.024 . . . . 99.99 108.236 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' ASP . . . . . 0.639 ' OD2' ' NZ ' ' A' ' 294' ' ' LYS . 3.1 p30 -150.35 -171.29 3.88 Favored 'General case' 0 C--N 1.376 1.753 0 CA-C-N 113.35 -1.75 . . . . 99.99 107.804 -169.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.52 64.75 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-N 115.364 -0.835 . . . . 99.99 112.497 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' THR . . . . . 0.488 ' OG1' ' NZ ' ' A' ' 294' ' ' LYS . 76.5 p -91.32 4.93 51.15 Favored 'General case' 0 C--N 1.379 1.868 0 CA-C-N 115.66 -0.7 . . . . 99.99 112.511 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 108.89 -152.62 16.99 Favored Glycine 0 C--N 1.382 3.087 0 N-CA-C 109.905 -1.278 . . . . 99.99 109.905 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.57 163.07 27.1 Favored 'Trans proline' 0 C--N 1.382 2.302 0 CA-C-O 123.274 1.281 . . . . 99.99 110.012 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . 0.639 ' NZ ' ' OD2' ' A' ' 289' ' ' ASP . 45.4 mmtm -118.4 132.77 56.24 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.179 1.942 . . . . 99.99 107.545 164.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -105.15 136.19 45.12 Favored 'General case' 0 C--N 1.384 2.107 0 N-CA-C 102.36 -3.2 . . . . 99.99 102.36 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' MET . . . . . . . . . . . . . 16.1 ttt -109.5 123.76 49.93 Favored 'General case' 0 C--N 1.375 1.684 0 N-CA-C 106.275 -1.75 . . . . 99.99 106.275 -177.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -141.3 105.23 4.76 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 105.555 -2.017 . . . . 99.99 105.555 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 29.6 mm -119.07 131.98 70.26 Favored 'Isoleucine or valine' 0 C--N 1.384 2.078 0 CA-C-O 123.749 1.738 . . . . 99.99 106.389 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -90.45 129.89 36.58 Favored 'General case' 0 C--N 1.385 2.134 0 CA-C-N 113.599 -1.637 . . . . 99.99 107.112 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' VAL . . . . . . . . . . . . . 12.5 t -127.12 147.19 32.03 Favored 'Isoleucine or valine' 0 C--N 1.388 2.242 0 CA-C-N 112.785 -2.007 . . . . 99.99 105.945 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' THR . . . . . . . . . . . . . 67.6 p -127.9 163.2 24.98 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 113.604 -1.634 . . . . 99.99 106.777 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . 0.417 ' NE ' ' O ' ' A' ' 273' ' ' LEU . 39.1 ttm180 -62.09 -36.06 80.55 Favored 'General case' 0 C--N 1.384 2.089 0 CA-C-N 114.614 -1.175 . . . . 99.99 108.527 172.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.19 83.28 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-O 121.468 0.651 . . . . 99.99 112.641 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -71.61 -39.89 70.17 Favored 'General case' 0 C--N 1.385 2.132 0 C-N-CA 119.123 -1.031 . . . . 99.99 108.635 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.74 -54.99 38.51 Favored 'General case' 0 C--N 1.383 2.064 0 CA-C-N 114.348 -1.297 . . . . 99.99 109.932 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.77 -30.09 42.97 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 121.487 0.661 . . . . 99.99 111.393 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' SER . . . . . . . . . . . . . 8.9 t -86.96 5.21 38.32 Favored 'General case' 0 C--N 1.386 2.16 0 N-CA-C 115.263 1.579 . . . . 99.99 115.263 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 54.5 mt -105.52 -28.64 10.68 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-O 121.534 0.683 . . . . 99.99 111.758 171.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 22.0 m -113.08 47.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.379 1.876 0 CA-C-O 123.0 1.381 . . . . 99.99 114.024 -163.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.36 87.53 7.14 Favored 'General case' 0 C--N 1.38 1.898 0 O-C-N 119.569 -1.957 . . . . 99.99 109.804 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -174.9 -91.8 0.0 OUTLIER 'General case' 0 C--N 1.399 2.757 0 CA-C-O 123.157 1.456 . . . . 99.99 112.737 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.83 -12.29 61.37 Favored 'General case' 0 C--N 1.382 1.987 0 N-CA-C 119.887 3.291 . . . . 99.99 119.887 -146.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 35.2 t -69.32 -32.41 53.39 Favored 'Isoleucine or valine' 0 C--N 1.376 1.733 0 N-CA-C 105.533 -2.025 . . . . 99.99 105.533 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' ASN . . . . . 0.509 ' OD1' ' NZ ' ' A' ' 352' ' ' LYS . 64.4 m-80 -68.05 -32.53 72.93 Favored 'General case' 0 C--N 1.384 2.109 0 N-CA-C 107.423 -1.325 . . . . 99.99 107.423 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -65.21 -11.73 43.84 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 123.014 0.525 . . . . 99.99 110.049 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' SER . . . . . . . . . . . . . 12.2 p -95.6 -9.04 33.27 Favored 'General case' 0 C--N 1.385 2.132 0 N-CA-C 113.548 0.944 . . . . 99.99 113.548 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.84 -21.32 5.2 Favored 'Isoleucine or valine' 0 C--N 1.378 1.836 0 C-N-CA 124.802 1.241 . . . . 99.99 108.863 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -68.14 -57.15 9.6 Favored Pre-proline 0 C--N 1.378 1.84 0 C-N-CA 123.611 0.764 . . . . 99.99 112.385 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.64 -16.53 46.92 Favored 'Trans proline' 0 C--N 1.377 2.034 0 CA-C-N 122.161 1.808 . . . . 99.99 111.974 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 12.1 tp -68.64 -19.04 64.4 Favored 'General case' 0 C--N 1.382 1.998 0 CA-C-N 113.892 -1.504 . . . . 99.99 109.673 174.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -79.23 -47.65 15.59 Favored 'General case' 0 C--N 1.39 2.331 0 N-CA-C 108.208 -1.034 . . . . 99.99 108.208 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 9.3 m -66.64 -35.3 74.48 Favored 'Isoleucine or valine' 0 C--N 1.386 2.185 0 CA-C-O 122.46 1.124 . . . . 99.99 109.456 -172.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.49 67.94 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 114.567 -1.197 . . . . 99.99 111.91 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 66.9 mt -90.25 -44.4 9.75 Favored 'General case' 0 C--N 1.385 2.148 0 CA-C-N 115.009 -0.996 . . . . 99.99 110.107 174.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -63.17 -37.03 85.62 Favored 'General case' 0 C--N 1.385 2.126 0 CA-C-N 116.359 -0.382 . . . . 99.99 111.836 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -71.13 -35.74 71.83 Favored 'General case' 0 C--N 1.379 1.876 0 CA-C-O 121.962 0.887 . . . . 99.99 109.522 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' ALA . . . . . . . . . . . . . . . -79.4 -32.94 43.06 Favored 'General case' 0 C--N 1.383 2.061 0 CA-C-O 122.412 1.101 . . . . 99.99 112.533 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 86.27 25.97 35.05 Favored Glycine 0 C--N 1.383 3.155 0 CA-C-N 114.722 -1.126 . . . . 99.99 114.112 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.38 161.51 16.59 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-O 122.452 1.12 . . . . 99.99 110.1 -176.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 10.0 t -108.6 164.86 11.99 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.582 2.134 . . . . 99.99 110.769 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' VAL . . . . . . . . . . . . . 23.7 m -65.93 -19.7 26.1 Favored 'Isoleucine or valine' 0 C--N 1.388 2.242 0 CA-C-N 113.371 -1.74 . . . . 99.99 112.304 -172.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.4 t -81.5 -16.48 51.73 Favored 'General case' 0 C--N 1.383 2.056 0 CA-C-N 114.113 -1.403 . . . . 99.99 113.234 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -82.82 -19.69 37.16 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 123.716 1.722 . . . . 99.99 108.63 -169.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' ILE . . . . . 0.472 ' O ' ' NZ ' ' A' ' 359' ' ' LYS . 31.7 mm -83.61 129.6 37.25 Favored 'Isoleucine or valine' 0 C--N 1.383 2.064 0 CA-C-N 112.125 -2.307 . . . . 99.99 105.035 -177.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.79 -54.85 5.45 Favored 'General case' 0 C--N 1.382 2.013 0 N-CA-C 105.708 -1.96 . . . . 99.99 105.708 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -124.32 128.79 49.65 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 113.478 -1.692 . . . . 99.99 109.267 -166.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.17 118.89 55.82 Favored 'Isoleucine or valine' 0 C--N 1.383 2.06 0 N-CA-C 104.67 -2.344 . . . . 99.99 104.67 164.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 48.3 pt -118.24 142.14 34.27 Favored 'Isoleucine or valine' 0 C--N 1.384 2.089 0 CA-C-N 112.995 -1.911 . . . . 99.99 110.027 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 85.0 mt -101.97 142.65 32.92 Favored 'General case' 0 C--N 1.387 2.203 0 CA-C-N 113.042 -1.89 . . . . 99.99 111.356 -171.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' VAL . . . . . . . . . . . . . 60.6 t -136.63 153.57 30.77 Favored 'Isoleucine or valine' 0 C--N 1.381 1.936 0 N-CA-C 106.466 -1.679 . . . . 99.99 106.466 166.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' GLY . . . . . . . . . . . . . . . 97.05 138.49 10.11 Favored Glycine 0 C--N 1.384 3.202 0 CA-C-O 123.874 1.819 . . . . 99.99 111.287 170.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.94 -17.39 60.82 Favored Glycine 0 C--N 1.382 3.114 0 CA-C-N 113.576 -1.312 . . . . 99.99 116.349 -169.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -75.73 -13.21 60.3 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 121.955 0.883 . . . . 99.99 109.396 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 44.3 p -83.3 21.87 1.08 Allowed 'General case' 0 C--N 1.384 2.1 0 N-CA-C 114.731 1.382 . . . . 99.99 114.731 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -102.61 -5.51 23.8 Favored 'General case' 0 C--N 1.391 2.4 0 CA-C-N 113.318 -1.765 . . . . 99.99 113.18 163.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' MET . . . . . . . . . . . . . 60.4 ttp -84.32 116.51 65.32 Favored Pre-proline 0 C--N 1.369 1.443 0 N-CA-C 106.218 -1.771 . . . . 99.99 106.218 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -47.38 -33.73 17.55 Favored 'Trans proline' 0 C--N 1.388 2.619 0 N-CA-C 116.589 1.727 . . . . 99.99 116.589 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 13.6 ttp -60.67 -38.34 84.6 Favored 'General case' 0 C--N 1.377 1.79 0 CA-C-N 115.582 -0.735 . . . . 99.99 111.969 -172.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' VAL . . . . . . . . . . . . . 11.9 m -79.39 -35.77 17.28 Favored 'Isoleucine or valine' 0 C--N 1.383 2.06 0 CA-C-O 122.31 1.052 . . . . 99.99 109.697 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . 0.434 ' OE1' ' NZ ' ' A' ' 363' ' ' LYS . 23.0 mt-30 -62.21 -44.58 96.26 Favored 'General case' 0 C--N 1.376 1.743 0 N-CA-C 107.603 -1.258 . . . . 99.99 107.603 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -61.52 -54.64 40.53 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-N 115.306 -0.861 . . . . 99.99 109.68 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' LYS . . . . . 0.509 ' NZ ' ' OD1' ' A' ' 314' ' ' ASN . 12.2 mmmt -69.67 -21.5 63.52 Favored 'General case' 0 C--N 1.383 2.04 0 N-CA-C 114.02 1.119 . . . . 99.99 114.02 -170.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 76.4 t -77.02 -42.74 32.1 Favored 'Isoleucine or valine' 0 C--N 1.381 1.976 0 N-CA-C 108.11 -1.07 . . . . 99.99 108.11 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.82 93.26 Favored 'General case' 0 C--N 1.386 2.18 0 CA-C-N 115.154 -0.93 . . . . 99.99 109.572 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -58.54 -33.42 69.87 Favored 'General case' 0 C--N 1.384 2.088 0 CA-C-N 115.144 -0.934 . . . . 99.99 111.951 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -82.1 -46.54 13.72 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 115.283 -0.872 . . . . 99.99 109.618 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -82.4 -25.22 33.93 Favored 'General case' 0 C--N 1.386 2.162 0 N-CA-C 114.276 1.213 . . . . 99.99 114.276 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . 92.01 -20.28 43.82 Favored Glycine 0 C--N 1.374 2.665 0 N-CA-C 114.514 0.565 . . . . 99.99 114.514 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' A' ' 334' ' ' ILE . 30.4 mtmm -122.44 133.68 54.61 Favored 'General case' 0 C--N 1.374 1.659 0 N-CA-C 105.534 -2.024 . . . . 99.99 105.534 -177.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.39 132.81 95.47 Favored Pre-proline 0 C--N 1.386 2.163 0 CA-C-N 115.723 -0.671 . . . . 99.99 110.721 -171.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -69.44 144.9 57.27 Favored 'Trans proline' 0 C--N 1.387 2.584 0 C-N-CA 120.975 1.117 . . . . 99.99 114.148 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -88.68 132.16 34.7 Favored 'General case' 0 C--N 1.389 2.296 0 CA-C-O 124.54 2.114 . . . . 99.99 110.017 -174.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' LYS . . . . . 0.434 ' NZ ' ' OE1' ' A' ' 350' ' ' GLN . 32.5 ttpt -146.22 41.14 1.16 Allowed 'General case' 0 C--N 1.393 2.465 0 CA-C-N 111.743 -2.481 . . . . 99.99 108.386 -175.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -88.14 10.57 18.88 Favored 'General case' 0 C--N 1.382 1.981 0 C-N-CA 127.032 2.133 . . . . 99.99 110.827 -173.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' VAL . . . . . . . . . . . . . 48.9 t -153.11 140.43 13.21 Favored 'Isoleucine or valine' 0 C--N 1.372 1.573 0 N-CA-C 101.734 -3.432 . . . . 99.99 101.734 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -72.3 117.76 61.49 Favored Pre-proline 0 C--N 1.378 1.827 0 CA-C-N 115.228 -0.896 . . . . 99.99 112.478 -164.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -76.32 22.37 0.51 Allowed 'Trans proline' 0 C--N 1.386 2.544 0 N-CA-C 121.038 3.438 . . . . 99.99 121.038 -170.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -119.44 12.39 12.4 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 123.48 0.712 . . . . 99.99 111.694 156.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -128.92 -38.52 1.65 Allowed 'General case' 0 C--N 1.388 2.241 0 C-N-CA 125.706 1.603 . . . . 99.99 111.776 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -45.31 -47.87 13.1 Favored 'General case' 0 C--N 1.386 2.161 0 CA-C-O 122.181 0.991 . . . . 99.99 112.167 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' VAL . . . . . . . . . . . . . 2.5 p -66.32 -16.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 CA-C-O 121.82 0.819 . . . . 99.99 112.878 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -88.16 -36.37 16.87 Favored 'General case' 0 C--N 1.383 2.034 0 C-N-CA 124.402 1.081 . . . . 99.99 108.934 172.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.38 -34.79 66.25 Favored 'Isoleucine or valine' 0 C--N 1.381 1.975 0 N-CA-C 107.249 -1.389 . . . . 99.99 107.249 174.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -59.7 -30.01 68.24 Favored Glycine 0 C--N 1.376 2.783 0 CA-C-N 115.44 -0.8 . . . . 99.99 114.579 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -78.71 -46.37 19.17 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 122.2 1.0 . . . . 99.99 108.331 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.13 85.25 Favored 'General case' 0 C--N 1.384 2.106 0 N-CA-C 113.877 1.065 . . . . 99.99 113.877 -176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 6.0 p -70.76 -22.36 23.2 Favored 'Isoleucine or valine' 0 C--N 1.385 2.136 0 CA-C-O 122.416 1.103 . . . . 99.99 112.49 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -81.67 -54.5 5.34 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 106.41 -1.7 . . . . 99.99 106.41 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -57.91 -46.15 92.81 Favored Glycine 0 N--CA 1.482 1.749 0 CA-C-N 115.043 -0.98 . . . . 99.99 115.376 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' GLY . . . . . . . . . . . . . . . -64.31 -108.57 0.01 OUTLIER Glycine 0 N--CA 1.476 1.358 0 C-N-CA 124.568 1.08 . . . . 99.99 114.478 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.72 -31.35 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 114.385 1.254 . . . . 99.99 114.385 -173.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' LEU . . . . . . . . . . . . . 3.4 tt -70.23 -71.91 0.22 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 118.679 -0.677 . . . . 99.99 110.966 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' THR . . . . . . . . . . . . . 2.7 m -75.47 -5.25 44.16 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.151 1.167 . . . . 99.99 114.151 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' GLY . . . . . . . . . . . . . . . -6.4 -73.15 0.01 OUTLIER Glycine 0 N--CA 1.482 1.734 0 O-C-N 120.524 -1.36 . . . . 99.99 115.229 123.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -135.28 -131.6 0.15 Allowed 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 106.551 -1.648 . . . . 99.99 106.551 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' VAL . . . . . . . . . . . . 0.715 0.1 OUTLIER 40.27 113.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.707 1 N-CA-C 130.018 7.044 . . . . 99.99 130.018 165.911 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' LYS . . . . . . . . . . . . 1.04 12.0 mttm 144.11 -118.27 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.423 3 N-CA-C 125.775 5.472 . . . . 99.99 125.775 143.469 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -142.66 167.79 21.24 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 119.648 3.203 . . . . 99.99 119.648 -143.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' VAL . . . . . . . . . . . . 1.198 27.5 m 149.4 -135.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.041 1 C-N-CA 134.37 5.068 . . . . 99.99 116.349 156.89 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 1.4 tp -135.12 -170.22 2.53 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.709 1.374 . . . . 99.99 114.709 -150.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 1.7 pp -107.13 168.38 9.25 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 118.753 2.871 . . . . 99.99 118.753 -170.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . 0.747 0.4 OUTLIER 118.82 -133.37 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.804 1 C-N-CA 135.084 5.354 . . . . 99.99 112.617 172.086 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -116.93 150.16 38.97 Favored 'General case' 0 N--CA 1.485 1.283 1 CA-C-N 126.26 4.118 . . . . 99.99 117.201 -166.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' VAL . . . . . . . . . . . . 0.992 0.9 OUTLIER -154.59 -89.82 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 N-CA-C 120.393 3.479 . . . . 99.99 120.393 170.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' THR . . . . . . . . . . . . 1.051 0.9 OUTLIER 133.93 74.59 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.707 3 C-N-CA 145.07 9.348 . . . . 99.99 118.772 3.41 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' PRO . . . . . . . . . . . . 0.34 43.1 Cg_endo -42.83 -135.58 0.0 OUTLIER 'Trans proline' 0 CA--C 1.502 -1.105 1 C-N-CA 126.527 4.818 . . . . 99.99 120.142 -155.778 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.92 159.32 11.55 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 120.225 -1.547 . . . . 99.99 114.767 -118.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 3.9 m -68.97 155.48 40.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 124.278 1.99 . . . . 99.99 114.223 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 32.4 mt -130.21 136.62 49.42 Favored 'General case' 0 C--N 1.392 2.453 0 CA-C-N 112.176 -2.284 . . . . 99.99 106.636 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -167.48 -166.67 26.96 Favored Glycine 0 C--N 1.386 3.331 0 CA-C-N 113.227 -1.806 . . . . 99.99 112.392 -173.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 30.1 pt -135.77 162.16 37.31 Favored 'Isoleucine or valine' 0 C--N 1.387 2.204 0 CA-C-N 113.259 -1.471 . . . . 99.99 112.475 -174.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -84.45 126.13 32.99 Favored 'General case' 0 C--N 1.396 2.597 0 CA-C-N 113.526 -1.67 . . . . 99.99 109.042 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 33.0 p -116.31 167.04 11.38 Favored 'General case' 0 C--N 1.386 2.182 0 CA-C-O 124.103 1.906 . . . . 99.99 110.911 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 56.2 ttp -57.01 116.46 3.23 Favored 'General case' 0 C--N 1.396 2.616 0 CA-C-N 113.628 -1.624 . . . . 99.99 107.505 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 129.96 -28.79 3.85 Favored Glycine 0 C--N 1.382 3.108 0 CA-C-N 111.855 -2.43 . . . . 99.99 110.809 -167.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 83.01 30.35 31.79 Favored Glycine 0 C--N 1.381 3.039 0 N-CA-C 109.551 -1.42 . . . . 99.99 109.551 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 8.2 p -109.48 143.02 20.41 Favored 'Isoleucine or valine' 0 C--N 1.38 1.899 0 CA-C-N 113.307 -1.446 . . . . 99.99 107.169 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 18.6 ttt -74.92 121.46 21.93 Favored 'General case' 0 C--N 1.381 1.948 0 N-CA-C 107.127 -1.435 . . . . 99.99 107.127 169.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 52.2 m -105.67 125.15 50.65 Favored 'General case' 0 C--N 1.379 1.851 0 N-CA-C 105.365 -2.087 . . . . 99.99 105.365 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 89.7 m -87.85 134.1 33.76 Favored 'General case' 0 C--N 1.384 2.088 0 CA-C-N 113.773 -1.558 . . . . 99.99 111.486 -170.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.24 -44.98 4.01 Favored 'General case' 0 C--N 1.389 2.283 0 CA-C-N 113.61 -1.632 . . . . 99.99 110.053 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 15.9 mm -116.17 125.04 73.08 Favored 'Isoleucine or valine' 0 C--N 1.385 2.134 0 N-CA-C 104.614 -2.365 . . . . 99.99 104.614 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.94 165.76 24.23 Favored 'General case' 0 C--N 1.381 1.949 0 CA-C-O 123.913 1.815 . . . . 99.99 111.96 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . 0.652 ' NZ ' ' OE1' ' A' ' 444' ' ' GLU . 6.3 ttpm? -71.72 134.53 46.31 Favored 'General case' 0 C--N 1.384 2.073 0 CA-C-N 113.0 -1.909 . . . . 99.99 107.851 174.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . 0.289 16.0 m120 79.47 34.86 0.18 Allowed 'General case' 0 C--N 1.379 1.885 0 CA-C-N 112.573 -2.103 . . . . 99.99 113.092 170.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 84.1 m -114.34 144.19 43.67 Favored 'General case' 0 C--N 1.381 1.946 0 CA-C-O 122.757 1.265 . . . . 99.99 109.107 174.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 78.9 p -84.31 -177.96 6.79 Favored 'General case' 0 C--N 1.392 2.435 0 CA-C-N 114.098 -1.41 . . . . 99.99 112.206 -173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 32.0 pt -131.61 141.33 41.29 Favored Pre-proline 0 C--N 1.386 2.187 0 N-CA-C 107.985 -1.117 . . . . 99.99 107.985 -172.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.49 156.49 85.97 Favored 'Cis proline' 0 C--N 1.382 2.314 0 CA-C-O 123.376 1.324 . . . . 99.99 112.379 3.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.8 t -155.92 141.78 18.05 Favored 'General case' 0 C--N 1.383 2.038 0 CA-C-N 113.149 -1.841 . . . . 99.99 107.604 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -135.17 125.84 27.09 Favored 'General case' 0 C--N 1.38 1.893 0 N-CA-C 104.512 -2.403 . . . . 99.99 104.512 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -143.81 162.18 36.71 Favored 'General case' 0 C--N 1.381 1.958 0 CA-C-O 124.372 2.034 . . . . 99.99 106.808 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 58.2 m -156.08 164.8 37.97 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 120.84 -1.162 . . . . 99.99 109.703 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -156.92 151.78 25.9 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-N 112.327 -2.215 . . . . 99.99 106.191 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 62.1 t -106.12 131.01 56.8 Favored 'Isoleucine or valine' 0 C--N 1.381 1.974 0 N-CA-C 106.056 -1.831 . . . . 99.99 106.056 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -126.84 -178.81 4.53 Favored 'General case' 0 C--N 1.377 1.794 0 CA-C-O 124.816 2.246 . . . . 99.99 107.559 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 10.8 t -148.23 173.19 13.25 Favored 'General case' 0 C--N 1.379 1.86 0 CA-C-N 112.356 -2.202 . . . . 99.99 107.826 -169.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 11.3 p -76.57 162.67 27.58 Favored 'General case' 0 C--N 1.379 1.888 0 N-CA-C 104.476 -2.416 . . . . 99.99 104.476 169.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -108.18 -24.25 11.61 Favored 'General case' 0 C--N 1.376 1.732 0 CA-C-N 112.132 -2.304 . . . . 99.99 112.728 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -120.31 162.33 19.63 Favored 'General case' 0 C--N 1.375 1.7 0 CA-C-O 123.443 1.592 . . . . 99.99 109.486 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ASP . . . . . 0.63 ' OD2' ' NZ ' ' A' ' 548' ' ' LYS . 67.8 m-20 -88.15 135.9 33.22 Favored 'General case' 0 C--N 1.393 2.475 0 N-CA-C 106.356 -1.72 . . . . 99.99 106.356 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 39.6 t30 69.22 25.43 5.69 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 114.378 -1.283 . . . . 99.99 110.23 -173.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -83.38 121.19 26.83 Favored 'General case' 0 C--N 1.384 2.084 0 N-CA-C 107.087 -1.449 . . . . 99.99 107.087 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 21.6 p -102.45 -0.3 32.62 Favored 'General case' 0 C--N 1.376 1.759 0 CA-C-N 113.009 -1.905 . . . . 99.99 114.384 -170.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -159.29 158.51 32.59 Favored 'General case' 0 C--N 1.375 1.691 0 CA-C-O 123.064 1.411 . . . . 99.99 111.774 -175.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.65 149.86 32.54 Favored 'Isoleucine or valine' 0 C--N 1.387 2.212 0 CA-C-O 124.295 1.998 . . . . 99.99 108.101 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.7 m -91.38 138.36 31.64 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 103.781 -2.674 . . . . 99.99 103.781 167.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.16 117.18 54.46 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 N-CA-C 103.479 -2.786 . . . . 99.99 103.479 168.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -111.47 121.41 45.13 Favored 'General case' 0 C--N 1.382 1.982 0 N-CA-C 105.057 -2.201 . . . . 99.99 105.057 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 46.4 t -99.36 115.42 40.07 Favored 'Isoleucine or valine' 0 C--N 1.382 1.991 0 CA-C-O 123.644 1.687 . . . . 99.99 106.544 -173.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 95.3 mt -107.47 138.55 43.47 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 112.431 -2.168 . . . . 99.99 108.932 -175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -112.76 127.24 56.09 Favored 'General case' 0 C--N 1.39 2.333 0 N-CA-C 104.646 -2.353 . . . . 99.99 104.646 160.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 162.38 -171.65 38.29 Favored Glycine 0 C--N 1.377 2.818 0 CA-C-N 113.676 -1.602 . . . . 99.99 111.83 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . 0.652 ' OE1' ' NZ ' ' A' ' 414' ' ' LYS . 44.2 mm-40 -135.8 7.73 3.25 Favored 'General case' 0 C--N 1.38 1.908 0 CA-C-N 112.734 -1.733 . . . . 99.99 112.468 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . 0.576 ' NE ' ' OD1' ' A' ' 518' ' ' ASP . 0.6 OUTLIER -93.35 153.74 18.36 Favored 'General case' 0 C--N 1.374 1.642 0 N-CA-C 105.518 -2.03 . . . . 99.99 105.518 -177.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . 0.415 ' N ' ' OD2' ' A' ' 526' ' ' ASP . 31.0 mmtm -70.33 -54.97 10.36 Favored 'General case' 0 C--N 1.383 2.027 0 N-CA-C 108.747 -0.834 . . . . 99.99 108.747 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -73.25 120.63 19.13 Favored 'General case' 0 C--N 1.382 1.98 0 N-CA-C 106.1 -1.815 . . . . 99.99 106.1 -169.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.44 70.24 Favored 'General case' 0 C--N 1.377 1.781 0 CA-C-O 122.663 1.22 . . . . 99.99 112.545 -166.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -69.19 -6.55 29.58 Favored 'General case' 0 C--N 1.379 1.874 0 CA-C-N 114.096 -1.411 . . . . 99.99 113.612 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.28 -6.91 25.21 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-O 121.822 0.82 . . . . 99.99 111.063 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -100.77 168.22 9.81 Favored 'General case' 0 C--N 1.383 2.039 0 CA-C-O 122.512 1.149 . . . . 99.99 109.711 -177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . 0.623 ' NZ ' ' OE2' ' A' ' 511' ' ' GLU . 15.8 tptt -90.5 121.23 32.27 Favored 'General case' 0 C--N 1.39 2.339 0 CA-C-O 123.261 1.505 . . . . 99.99 108.248 -174.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 12.6 t -74.27 102.14 4.24 Favored 'General case' 0 C--N 1.38 1.905 0 CA-C-N 112.516 -2.129 . . . . 99.99 109.075 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.3 mt -77.04 -36.59 55.99 Favored 'General case' 0 C--N 1.385 2.11 0 CA-C-O 122.531 1.158 . . . . 99.99 109.709 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 179.72 169.97 40.76 Favored Glycine 0 C--N 1.381 3.04 0 CA-C-N 113.4 -1.727 . . . . 99.99 109.327 -177.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -146.15 155.15 42.53 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-N 112.447 -1.877 . . . . 99.99 107.829 171.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -155.59 167.75 29.37 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 112.353 -2.203 . . . . 99.99 107.094 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -111.58 155.18 23.73 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 123.687 1.708 . . . . 99.99 109.208 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 56.3 tp -130.23 111.57 12.54 Favored 'General case' 0 C--N 1.38 1.933 0 N-CA-C 103.626 -2.731 . . . . 99.99 103.626 160.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' ASP . . . . . 0.667 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 9.5 p-10 -101.92 163.97 11.97 Favored 'General case' 0 C--N 1.382 1.991 0 CA-C-N 113.317 -1.765 . . . . 99.99 109.633 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 93.28 30.02 9.67 Favored Glycine 0 C--N 1.376 2.797 0 CA-C-N 112.906 -1.952 . . . . 99.99 113.399 161.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 73.4 mt -75.89 134.7 28.55 Favored 'Isoleucine or valine' 0 C--N 1.379 1.887 0 N-CA-C 105.097 -2.186 . . . . 99.99 105.097 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -68.68 159.09 83.56 Favored Pre-proline 0 C--N 1.387 2.224 0 CA-C-N 112.568 -2.106 . . . . 99.99 109.438 -173.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.23 73.15 2.12 Favored 'Trans proline' 0 C--N 1.385 2.494 0 CA-C-O 123.626 1.428 . . . . 99.99 111.354 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -99.17 161.02 26.12 Favored Pre-proline 0 C--N 1.38 1.906 0 CA-C-N 113.005 -1.907 . . . . 99.99 109.338 172.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -76.55 157.33 36.31 Favored 'Trans proline' 0 C--N 1.386 2.509 0 C-N-CA 121.052 1.168 . . . . 99.99 110.651 168.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -70.46 156.95 38.68 Favored 'General case' 0 C--N 1.382 2.012 0 CA-C-O 124.365 2.031 . . . . 99.99 114.084 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 95.96 -25.34 25.79 Favored Glycine 0 C--N 1.393 3.717 0 CA-C-N 111.795 -2.457 . . . . 99.99 110.636 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 90.8 mmm -92.64 -43.39 0.34 Allowed Pre-proline 0 C--N 1.385 2.135 0 N-CA-C 115.741 1.756 . . . . 99.99 115.741 -167.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.78 123.97 13.25 Favored 'Trans proline' 0 C--N 1.381 2.27 0 CA-C-N 122.119 1.792 . . . . 99.99 108.882 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -90.16 94.83 9.93 Favored 'General case' 0 C--N 1.38 1.908 0 CA-C-N 113.113 -1.858 . . . . 99.99 107.821 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 34.4 mm -100.85 112.31 33.28 Favored 'Isoleucine or valine' 0 C--N 1.387 2.21 0 CA-C-N 112.466 -2.152 . . . . 99.99 105.424 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.638 ' OE2' ' NZ ' ' A' ' 491' ' ' LYS . 23.9 tt0 -87.56 136.42 32.95 Favored 'General case' 0 C--N 1.383 2.032 0 N-CA-C 103.925 -2.62 . . . . 99.99 103.925 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 94.0 t -120.74 127.72 75.96 Favored 'Isoleucine or valine' 0 C--N 1.381 1.942 0 N-CA-C 103.886 -2.635 . . . . 99.99 103.886 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 8.9 m -124.26 135.06 53.12 Favored 'General case' 0 C--N 1.384 2.079 0 CA-C-N 112.67 -2.059 . . . . 99.99 106.391 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -117.21 128.3 54.96 Favored 'General case' 0 C--N 1.387 2.22 0 N-CA-C 104.047 -2.575 . . . . 99.99 104.047 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -130.9 123.55 29.19 Favored 'General case' 0 C--N 1.375 1.681 0 N-CA-C 104.539 -2.393 . . . . 99.99 104.539 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 6.8 mt -113.83 124.54 70.58 Favored 'Isoleucine or valine' 0 C--N 1.383 2.062 0 N-CA-C 103.471 -2.788 . . . . 99.99 103.471 172.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -86.34 -176.82 6.04 Favored 'General case' 0 C--N 1.387 2.202 0 CA-C-N 113.024 -1.898 . . . . 99.99 108.713 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -87.06 -2.26 58.5 Favored 'General case' 0 C--N 1.378 1.808 0 N-CA-C 114.0 1.111 . . . . 99.99 114.0 -170.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -98.88 0.93 45.17 Favored 'General case' 0 C--N 1.384 2.083 0 CA-C-O 123.107 1.432 . . . . 99.99 107.771 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 89.91 7.43 68.38 Favored Glycine 0 C--N 1.383 3.187 0 C-N-CA 125.026 1.298 . . . . 99.99 112.349 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 66.1 mt -80.78 135.34 25.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.928 0 N-CA-C 104.658 -2.349 . . . . 99.99 104.658 -173.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 40.7 tp -98.99 126.92 44.79 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 105.033 -2.21 . . . . 99.99 105.033 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -122.01 122.79 40.13 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 103.859 -2.645 . . . . 99.99 103.859 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.5 136.89 50.84 Favored 'Isoleucine or valine' 0 C--N 1.381 1.958 0 N-CA-C 103.226 -2.879 . . . . 99.99 103.226 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 3.4 p -136.79 140.52 42.58 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-N 112.862 -1.972 . . . . 99.99 106.154 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -130.56 142.47 50.46 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 112.843 -1.98 . . . . 99.99 105.872 174.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' LYS . . . . . 0.667 ' NZ ' ' OE1' ' A' ' 496' ' ' GLU . 9.0 ttmt -147.27 140.66 25.41 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-N 113.178 -1.828 . . . . 99.99 110.024 -173.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ASP . . . . . 0.447 ' OD2' ' OG ' ' A' ' 493' ' ' SER . 2.4 t0 -87.1 127.34 35.13 Favored 'General case' 0 C--N 1.38 1.934 0 N-CA-C 106.073 -1.825 . . . . 99.99 106.073 167.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . 0.638 ' NZ ' ' OE2' ' A' ' 473' ' ' GLU . 74.7 mttt -79.42 -14.99 58.57 Favored 'General case' 0 C--N 1.386 2.179 0 N-CA-C 113.651 0.982 . . . . 99.99 113.651 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -51.41 11.11 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-O 121.15 0.5 . . . . 99.99 110.095 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' SER . . . . . 0.447 ' OG ' ' OD2' ' A' ' 490' ' ' ASP . 94.3 p -93.27 -28.19 16.38 Favored 'General case' 0 C--N 1.382 1.979 0 N-CA-C 113.312 0.856 . . . . 99.99 113.312 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 90.68 2.32 72.71 Favored Glycine 0 C--N 1.38 2.979 0 CA-C-N 115.797 -0.638 . . . . 99.99 114.63 -173.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.667 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 41.8 tttm -73.04 117.16 14.43 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-O 123.655 1.693 . . . . 99.99 109.091 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . 0.667 ' OE1' ' NZ ' ' A' ' 489' ' ' LYS . 20.3 tt0 -95.56 152.27 18.58 Favored 'General case' 0 C--N 1.391 2.384 0 CA-C-N 112.658 -2.065 . . . . 99.99 108.114 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -145.05 156.42 43.91 Favored 'General case' 0 C--N 1.387 2.2 0 CA-C-O 123.625 1.679 . . . . 99.99 108.112 158.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -134.79 164.63 27.12 Favored 'General case' 0 C--N 1.386 2.159 0 CA-C-N 113.552 -1.658 . . . . 99.99 110.984 -168.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 15.4 tt -150.38 145.02 17.22 Favored 'Isoleucine or valine' 0 C--N 1.391 2.409 0 CA-C-N 111.97 -2.377 . . . . 99.99 108.135 155.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.9 m -120.04 130.23 54.61 Favored 'General case' 0 C--N 1.385 2.148 0 N-CA-C 105.379 -2.082 . . . . 99.99 105.379 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 70.5 mt -129.74 140.53 48.79 Favored 'Isoleucine or valine' 0 C--N 1.379 1.878 0 N-CA-C 105.984 -1.858 . . . . 99.99 105.984 -169.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -83.24 157.32 22.72 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-O 123.132 1.444 . . . . 99.99 109.378 -166.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -63.03 -24.67 68.03 Favored 'General case' 0 C--N 1.385 2.15 0 CA-C-O 122.987 1.375 . . . . 99.99 111.751 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 22.5 p -95.46 14.33 23.0 Favored 'General case' 0 C--N 1.382 1.994 0 CA-C-N 113.387 -1.733 . . . . 99.99 113.813 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 54.3 m -92.05 151.49 20.43 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-O 123.135 1.445 . . . . 99.99 107.558 170.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 96.83 -152.19 20.05 Favored Glycine 0 C--N 1.384 3.196 0 CA-C-N 113.539 -1.664 . . . . 99.99 113.085 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.93 133.61 36.9 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 112.221 -1.99 . . . . 99.99 111.432 -171.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -81.89 174.61 11.14 Favored 'General case' 0 C--N 1.386 2.166 0 CA-C-O 122.928 1.347 . . . . 99.99 112.397 170.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.8 -45.38 14.76 Favored 'General case' 0 C--N 1.388 2.273 0 N-CA-C 114.358 1.244 . . . . 99.99 114.358 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.72 -31.08 36.2 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 122.723 1.249 . . . . 99.99 108.891 -172.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . 0.623 ' OE2' ' NZ ' ' A' ' 452' ' ' LYS . 46.1 mt-10 -68.85 -37.97 79.47 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 114.537 -1.21 . . . . 99.99 108.108 176.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.8 -46.4 94.51 Favored 'Isoleucine or valine' 0 C--N 1.385 2.131 0 CA-C-N 114.735 -1.12 . . . . 99.99 109.462 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -59.37 -47.0 87.1 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 119.632 -0.827 . . . . 99.99 110.018 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' LYS . . . . . 0.668 ' NZ ' ' OD2' ' A' ' 518' ' ' ASP . 61.6 tttm -54.71 -51.93 64.02 Favored 'General case' 0 C--N 1.394 2.539 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 35.0 tpp -53.84 -38.57 64.78 Favored 'General case' 0 C--N 1.378 1.828 0 O-C-N 123.735 0.647 . . . . 99.99 111.535 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' VAL . . . . . . . . . . . . . 50.9 t -64.13 -47.19 91.19 Favored 'Isoleucine or valine' 0 C--N 1.379 1.857 0 CA-C-O 121.986 0.898 . . . . 99.99 108.887 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -63.56 -43.62 96.49 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-O 123.609 1.671 . . . . 99.99 107.19 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . 0.668 ' OD2' ' NZ ' ' A' ' 514' ' ' LYS . 0.5 OUTLIER -59.44 -53.0 63.16 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 113.465 -1.698 . . . . 99.99 109.173 -175.165 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -72.18 -30.67 65.2 Favored 'General case' 0 C--N 1.387 2.2 0 CA-C-N 113.89 -1.504 . . . . 99.99 113.507 -175.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -75.57 -35.32 60.64 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 120.239 -0.584 . . . . 99.99 110.313 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -78.44 -38.88 40.23 Favored 'General case' 0 C--N 1.384 2.095 0 CA-C-O 121.614 0.721 . . . . 99.99 112.623 -177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -91.1 13.7 16.17 Favored 'General case' 0 C--N 1.384 2.096 0 CA-C-O 121.977 0.894 . . . . 99.99 112.965 -173.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.64 -40.51 69.06 Favored 'General case' 0 C--N 1.378 1.805 0 CA-C-O 121.889 0.852 . . . . 99.99 111.274 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.44 -39.29 85.4 Favored 'General case' 0 C--N 1.382 1.993 0 CA-C-O 122.132 0.968 . . . . 99.99 110.502 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -75.82 -39.24 57.14 Favored 'General case' 0 C--N 1.384 2.073 0 CA-C-O 122.768 1.271 . . . . 99.99 108.953 -173.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ASP . . . . . 0.415 ' OD2' ' N ' ' A' ' 446' ' ' LYS . 0.6 OUTLIER -69.48 -43.09 73.91 Favored 'General case' 0 C--N 1.381 1.95 0 CA-C-N 114.079 -1.419 . . . . 99.99 108.508 -178.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 5.9 ttp-105 -59.51 -39.66 84.58 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 118.019 -1.472 . . . . 99.99 110.381 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -63.61 -21.76 66.54 Favored 'General case' 0 C--N 1.389 2.311 0 CA-C-O 121.983 0.897 . . . . 99.99 112.424 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -85.5 -52.27 5.95 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 113.953 -1.476 . . . . 99.99 108.005 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -53.11 -38.36 62.55 Favored 'General case' 0 C--N 1.381 1.944 0 CA-C-O 122.609 1.195 . . . . 99.99 110.207 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.666 ' OE1' ' NZ ' ' A' ' 581' ' ' LYS . 3.5 pt-20 -73.67 -5.56 41.28 Favored 'General case' 0 C--N 1.388 2.271 0 N-CA-C 115.777 1.769 . . . . 99.99 115.777 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 33.9 tp -95.23 -41.61 8.97 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 124.899 1.28 . . . . 99.99 108.311 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 35.3 t -58.06 -42.35 82.71 Favored 'Isoleucine or valine' 0 C--N 1.382 1.979 0 CA-C-O 122.07 0.938 . . . . 99.99 108.601 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -59.8 -45.52 92.09 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-N 114.286 -1.325 . . . . 99.99 108.831 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' THR . . . . . . . . . . . . . 84.7 m -70.27 -43.57 70.2 Favored 'General case' 0 C--N 1.375 1.711 0 CA-C-N 115.766 -0.652 . . . . 99.99 109.57 -175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -55.05 -42.4 72.64 Favored 'General case' 0 C--N 1.384 2.093 0 CA-C-O 122.247 1.022 . . . . 99.99 111.012 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -72.07 -33.57 68.04 Favored 'General case' 0 C--N 1.385 2.128 0 CA-C-N 115.34 -0.845 . . . . 99.99 112.098 -175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -64.87 -41.17 95.87 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-O 122.891 1.329 . . . . 99.99 109.171 175.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -67.56 -38.01 90.11 Favored Glycine 0 C--N 1.386 3.34 0 CA-C-N 113.924 -1.489 . . . . 99.99 111.204 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.75 -46.74 88.28 Favored 'General case' 0 C--N 1.383 2.029 0 CA-C-O 121.85 0.833 . . . . 99.99 109.516 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -58.04 -49.0 78.4 Favored 'General case' 0 C--N 1.387 2.197 0 N-CA-C 108.441 -0.948 . . . . 99.99 108.441 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.45 -48.61 77.01 Favored 'General case' 0 C--N 1.383 2.051 0 CA-C-N 115.043 -0.98 . . . . 99.99 109.093 -175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 41.5 tp -54.26 -47.75 71.93 Favored 'General case' 0 C--N 1.38 1.919 0 CA-C-O 121.99 0.9 . . . . 99.99 110.439 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -70.04 -48.84 56.27 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-N 115.067 -0.97 . . . . 99.99 109.928 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 60.7 m -67.75 -41.5 83.27 Favored 'General case' 0 C--N 1.378 1.818 0 O-C-N 121.46 -0.775 . . . . 99.99 111.033 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' THR . . . . . . . . . . . . . 84.9 m -68.96 -27.38 65.68 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 119.025 -1.07 . . . . 99.99 110.731 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -60.63 -45.1 95.32 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 121.951 0.881 . . . . 99.99 109.329 173.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' LYS . . . . . 0.63 ' NZ ' ' OD2' ' A' ' 431' ' ' ASP . 93.7 mttt -76.68 -33.38 58.26 Favored 'General case' 0 C--N 1.384 2.1 0 C-N-CA 118.988 -1.085 . . . . 99.99 112.014 -177.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -61.94 -26.23 68.06 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 120.027 -0.669 . . . . 99.99 110.259 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.01 -53.61 22.87 Favored 'Isoleucine or valine' 0 C--N 1.39 2.326 0 N-CA-C 108.633 -0.877 . . . . 99.99 108.633 167.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -61.95 -29.29 70.13 Favored 'General case' 0 C--N 1.38 1.916 0 N-CA-C 114.171 1.175 . . . . 99.99 114.171 -174.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -72.41 -32.86 66.7 Favored 'General case' 0 C--N 1.379 1.888 0 CA-C-O 123.436 1.589 . . . . 99.99 112.135 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -74.91 -58.19 3.44 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 114.965 -1.016 . . . . 99.99 110.099 -174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 64.9 -132.8 37.12 Favored Glycine 0 C--N 1.378 2.869 0 CA-C-O 123.206 1.448 . . . . 99.99 111.92 -177.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 555' ' ' ASP . 0.5 OUTLIER -66.43 -0.61 2.81 Favored 'General case' 0 C--N 1.382 2.01 0 C-N-CA 126.197 1.799 . . . . 99.99 115.356 -174.704 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -78.37 -25.45 46.28 Favored 'General case' 0 C--N 1.377 1.788 0 CA-C-N 114.975 -1.011 . . . . 99.99 109.886 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 26.3 tp -97.33 118.17 64.78 Favored Pre-proline 0 C--N 1.386 2.182 0 CA-C-N 113.951 -1.477 . . . . 99.99 107.617 -171.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.56 166.74 11.04 Favored 'Trans proline' 0 C--N 1.385 2.448 0 CA-C-O 124.791 1.913 . . . . 99.99 114.931 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.07 -41.02 82.57 Favored 'General case' 0 C--N 1.393 2.463 0 CA-C-N 112.398 -2.183 . . . . 99.99 111.172 -169.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 560' ' ' ASP . 1.6 m-20 -63.01 -45.63 91.45 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 108.457 -0.942 . . . . 99.99 108.457 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.25 -50.51 72.74 Favored 'General case' 0 C--N 1.382 1.995 0 N-CA-C 107.832 -1.173 . . . . 99.99 107.832 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' LYS . . . . . 0.667 ' NZ ' ' OE2' ' A' ' 566' ' ' GLU . 64.6 tttp -56.47 -45.61 80.82 Favored 'General case' 0 C--N 1.386 2.189 0 N-CA-C 107.989 -1.115 . . . . 99.99 107.989 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 84.9 m -63.34 -47.09 83.61 Favored 'General case' 0 C--N 1.377 1.797 0 CA-C-O 122.502 1.144 . . . . 99.99 110.889 -176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -70.15 -44.38 68.98 Favored 'General case' 0 C--N 1.381 1.974 0 CA-C-O 121.974 0.892 . . . . 99.99 111.409 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.66 -46.45 85.89 Favored 'Isoleucine or valine' 0 C--N 1.382 2.013 0 N-CA-C 107.983 -1.117 . . . . 99.99 107.983 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' GLU . . . . . 0.667 ' OE2' ' NZ ' ' A' ' 562' ' ' LYS . 91.1 mt-10 -64.69 -27.75 69.13 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-N 115.589 -0.732 . . . . 99.99 110.547 -175.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 74.8 m -67.42 -45.1 77.07 Favored 'General case' 0 C--N 1.382 2.0 0 CA-C-O 123.177 1.465 . . . . 99.99 108.549 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.34 69.14 Favored 'General case' 0 C--N 1.383 2.052 0 CA-C-N 114.644 -1.162 . . . . 99.99 110.42 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' LEU . . . . . . . . . . . . . 17.8 mt -57.13 -43.29 82.26 Favored 'General case' 0 C--N 1.386 2.175 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.667 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 56.5 m -61.94 -46.22 90.27 Favored 'General case' 0 C--N 1.388 2.241 0 CA-C-O 121.968 0.889 . . . . 99.99 109.434 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.35 -36.48 84.13 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 114.692 -1.14 . . . . 99.99 111.866 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.3 -37.18 86.6 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 108.166 -1.05 . . . . 99.99 108.166 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' GLU . . . . . 0.647 ' OE1' ' NZ ' ' A' ' 577' ' ' LYS . 0.2 OUTLIER -70.88 -17.66 62.71 Favored 'General case' 0 C--N 1.382 2.004 0 CA-C-N 115.279 -0.873 . . . . 99.99 112.398 -179.439 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 59.5 m -85.12 -50.06 7.73 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-O 122.247 1.022 . . . . 99.99 108.665 170.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -58.36 -35.88 72.62 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-O 122.143 0.973 . . . . 99.99 111.386 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 36.0 mt -70.92 0.06 8.16 Favored 'General case' 0 C--N 1.384 2.107 0 N-CA-C 115.253 1.575 . . . . 99.99 115.253 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' LYS . . . . . 0.647 ' NZ ' ' OE1' ' A' ' 573' ' ' GLU . 19.2 mttm -101.08 6.8 43.46 Favored 'General case' 0 C--N 1.382 2.017 0 CA-C-O 121.744 0.783 . . . . 99.99 109.922 168.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -98.85 166.21 21.34 Favored Glycine 0 C--N 1.38 3.02 0 CA-C-O 123.96 1.867 . . . . 99.99 109.132 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -99.01 7.41 46.02 Favored 'General case' 0 C--N 1.384 2.105 0 CA-C-O 122.531 1.158 . . . . 99.99 108.316 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -86.23 115.32 23.71 Favored 'General case' 0 C--N 1.379 1.871 0 CA-C-N 114.557 -1.201 . . . . 99.99 107.759 -172.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.666 ' NZ ' ' OE1' ' A' ' 531' ' ' GLU . 60.8 tttt -68.46 -41.53 80.06 Favored 'General case' 0 C--N 1.385 2.134 0 CA-C-N 114.202 -1.363 . . . . 99.99 110.666 177.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -73.1 -38.0 66.52 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 107.338 -1.356 . . . . 99.99 107.338 -163.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.44 88.88 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 114.385 -1.28 . . . . 99.99 110.028 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' ILE . . . . . . . . . . . . . 74.2 mt -70.38 -48.06 62.52 Favored 'Isoleucine or valine' 0 C--N 1.381 1.978 0 N-CA-C 108.067 -1.086 . . . . 99.99 108.067 -177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.36 -42.25 86.53 Favored 'General case' 0 C--N 1.384 2.1 0 CA-C-O 122.035 0.921 . . . . 99.99 109.872 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.25 76.87 Favored 'General case' 0 C--N 1.386 2.167 0 CA-C-N 115.595 -0.73 . . . . 99.99 111.635 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' LYS . . . . . 0.626 ' NZ ' ' OE1' ' A' ' 590' ' ' GLU . 71.0 mmtt -68.16 -27.6 66.56 Favored 'General case' 0 C--N 1.386 2.156 0 O-C-N 120.948 -1.095 . . . . 99.99 113.032 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 83.8 mtp -64.28 -40.15 95.37 Favored 'General case' 0 C--N 1.38 1.916 0 CA-C-O 121.757 0.789 . . . . 99.99 109.452 172.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -68.5 -47.29 67.39 Favored 'General case' 0 C--N 1.385 2.111 0 N-CA-C 108.907 -0.775 . . . . 99.99 108.907 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . 0.626 ' OE1' ' NZ ' ' A' ' 587' ' ' LYS . 32.7 tt0 -56.43 -35.56 67.99 Favored 'General case' 0 C--N 1.388 2.241 0 CA-C-O 121.352 0.596 . . . . 99.99 109.88 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' LEU . . . . . . . . . . . . . 56.9 tp -73.71 -55.96 5.6 Favored 'General case' 0 C--N 1.387 2.212 0 CA-C-N 116.105 -0.498 . . . . 99.99 111.337 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -58.39 -35.31 71.81 Favored 'General case' 0 C--N 1.378 1.821 0 O-C-N 121.329 -0.857 . . . . 99.99 112.436 -172.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.35 -32.13 68.24 Favored 'General case' 0 C--N 1.387 2.224 0 CA-C-N 115.418 -0.81 . . . . 99.99 111.685 -177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' VAL . . . . . . . . . . . . . 33.2 m -96.11 6.46 7.94 Favored 'Isoleucine or valine' 0 C--N 1.383 2.044 0 N-CA-C 112.626 0.602 . . . . 99.99 112.626 -175.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 37.9 m -111.84 26.66 10.4 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-O 121.933 0.873 . . . . 99.99 112.162 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -64.5 -48.49 74.99 Favored 'General case' 0 C--N 1.387 2.21 0 CA-C-N 114.672 -1.149 . . . . 99.99 108.437 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.667 ' NZ ' ' OE1' ' A' ' 600' ' ' GLU . 51.6 tptt -76.38 -29.36 57.12 Favored 'General case' 0 C--N 1.385 2.12 0 CA-C-O 121.908 0.861 . . . . 99.99 110.259 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -46.4 75.01 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 106.294 -1.743 . . . . 99.99 106.294 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 12.5 mmt -62.28 -34.82 77.31 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 115.52 -0.764 . . . . 99.99 110.819 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.667 ' OE1' ' NZ ' ' A' ' 597' ' ' LYS . 15.4 tt0 -59.63 -34.06 72.32 Favored 'General case' 0 C--N 1.378 1.84 0 CA-C-O 121.572 0.701 . . . . 99.99 110.249 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . . . . . . . . . 67.4 mt -79.66 -43.26 23.12 Favored 'Isoleucine or valine' 0 C--N 1.385 2.147 0 N-CA-C 108.157 -1.053 . . . . 99.99 108.157 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.87 69.85 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 121.938 0.875 . . . . 99.99 112.115 177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.381 1.962 0 N-CA-C 105.953 -1.869 . . . . 99.99 105.953 169.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.642 ' N ' ' OE1' ' A' ' 137' ' ' GLU . 18.9 mt . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 110.44 -0.207 . . . . 99.99 110.44 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.7 pt -104.49 156.18 5.87 Favored 'Isoleucine or valine' 0 C--N 1.387 2.215 0 CA-C-O 122.419 1.104 . . . . 99.99 110.034 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.05 109.54 3.68 Favored Glycine 0 C--N 1.387 3.364 0 N-CA-C 109.585 -1.406 . . . . 99.99 109.585 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.1 mt -104.08 130.24 55.04 Favored 'Isoleucine or valine' 0 C--N 1.383 2.032 0 N-CA-C 106.3 -1.741 . . . . 99.99 106.3 175.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' OD2' HG13 ' A' ' 371' ' ' VAL . 48.3 t0 -100.43 114.65 28.38 Favored 'General case' 0 C--N 1.388 2.241 0 N-CA-C 105.673 -1.973 . . . . 99.99 105.673 165.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.7 tp -100.26 112.3 24.62 Favored 'General case' 0 C--N 1.38 1.923 0 N-CA-C 103.875 -2.639 . . . . 99.99 103.875 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.82 -172.1 30.32 Favored Glycine 0 C--N 1.378 2.867 0 CA-C-O 124.473 2.152 . . . . 99.99 113.16 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m -81.66 -54.7 5.18 Favored 'General case' 0 C--N 1.396 2.612 0 CA-C-N 112.509 -1.845 . . . . 99.99 108.913 170.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -101.49 -32.15 10.55 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-O 121.283 0.563 . . . . 99.99 111.786 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -140.86 142.0 34.59 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 121.618 0.723 . . . . 99.99 109.387 -162.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.6 m -122.88 143.97 49.52 Favored 'General case' 0 C--N 1.381 1.958 0 CA-C-O 122.357 1.075 . . . . 99.99 111.198 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.4 t -149.8 146.28 27.07 Favored 'General case' 0 C--N 1.383 2.05 0 CA-C-N 113.851 -1.522 . . . . 99.99 106.935 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -131.23 145.01 36.01 Favored 'Isoleucine or valine' 0 C--N 1.385 2.114 0 CA-C-N 113.246 -1.797 . . . . 99.99 108.885 -173.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.77 165.73 32.62 Favored 'General case' 0 C--N 1.39 2.347 0 CA-C-O 123.735 1.731 . . . . 99.99 113.088 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 pt -143.3 163.18 16.47 Favored 'Isoleucine or valine' 0 C--N 1.394 2.527 0 CA-C-N 112.323 -2.217 . . . . 99.99 109.596 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 76.8 mtp -96.43 120.7 37.22 Favored 'General case' 0 C--N 1.39 2.327 0 N-CA-C 106.046 -1.835 . . . . 99.99 106.046 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.568 ' OD2' ' NE ' ' A' ' 25' ' ' ARG . 49.2 t0 -95.91 86.68 4.4 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 102.753 -3.054 . . . . 99.99 102.753 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.26 -107.22 2.59 Favored Glycine 0 C--N 1.389 3.511 0 N-CA-C 106.569 -2.612 . . . . 99.99 106.569 -173.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.4 t -102.07 -10.45 19.69 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-N 112.971 -1.614 . . . . 99.99 111.636 170.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -95.29 133.55 25.85 Favored Pre-proline 0 C--N 1.377 1.795 0 N-CA-C 108.481 -0.933 . . . . 99.99 108.481 -166.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -68.93 136.54 35.48 Favored 'Trans proline' 0 C--N 1.378 2.119 0 CA-C-O 122.712 1.047 . . . . 99.99 110.66 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.568 ' NE ' ' OD2' ' A' ' 20' ' ' ASP . 52.1 ttm-85 -132.68 129.57 38.96 Favored 'General case' 0 C--N 1.381 1.953 0 CA-C-O 123.841 1.781 . . . . 99.99 107.503 173.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.53 128.85 66.55 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 N-CA-C 105.343 -2.095 . . . . 99.99 105.343 -177.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.8 mt -95.34 170.08 9.62 Favored 'General case' 0 C--N 1.378 1.828 0 CA-C-N 112.749 -2.023 . . . . 99.99 109.707 -165.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -136.42 138.77 41.86 Favored 'General case' 0 C--N 1.383 2.034 0 CA-C-N 113.326 -1.761 . . . . 99.99 107.685 -172.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -74.8 170.41 15.94 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 123.572 1.653 . . . . 99.99 109.748 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.56 -27.24 69.04 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-N 114.392 -1.276 . . . . 99.99 112.395 -173.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.617 ' OE2' ' NZ ' ' A' ' 122' ' ' LYS . 6.5 mp0 -75.95 -10.23 59.26 Favored 'General case' 0 C--N 1.374 1.656 0 CA-C-N 114.455 -1.248 . . . . 99.99 113.603 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.21 14.5 58.83 Favored Glycine 0 C--N 1.374 2.678 0 N-CA-C 115.718 1.047 . . . . 99.99 115.718 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.93 147.74 23.66 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 107.198 -1.408 . . . . 99.99 107.198 176.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.7 mtt-85 -96.24 -62.12 1.33 Allowed 'General case' 0 C--N 1.38 1.904 0 CA-C-O 123.135 1.445 . . . . 99.99 108.59 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.0 m -93.04 108.92 20.39 Favored 'General case' 0 C--N 1.381 1.946 0 N-CA-C 102.141 -3.281 . . . . 99.99 102.141 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.9 m -100.05 143.61 26.83 Favored Pre-proline 0 C--N 1.381 1.944 0 N-CA-C 106.312 -1.736 . . . . 99.99 106.312 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -68.7 135.76 34.0 Favored 'Trans proline' 0 C--N 1.383 2.357 0 C-N-CA 120.741 0.961 . . . . 99.99 111.348 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -82.89 58.59 4.42 Favored 'General case' 0 C--N 1.386 2.165 0 CA-C-N 114.965 -1.016 . . . . 99.99 109.026 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.9 mt -122.69 136.15 60.45 Favored 'Isoleucine or valine' 0 C--N 1.387 2.214 0 N-CA-C 105.68 -1.97 . . . . 99.99 105.68 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.9 mt -130.61 133.62 63.26 Favored 'Isoleucine or valine' 0 C--N 1.383 2.034 0 N-CA-C 104.199 -2.519 . . . . 99.99 104.199 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.79 130.44 25.79 Favored 'General case' 0 C--N 1.379 1.872 0 CA-C-O 122.872 1.32 . . . . 99.99 108.107 -176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -99.24 107.86 20.28 Favored 'General case' 0 C--N 1.383 2.042 0 N-CA-C 103.644 -2.725 . . . . 99.99 103.644 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.0 m -74.01 147.92 42.49 Favored 'General case' 0 C--N 1.377 1.803 0 N-CA-C 106.44 -1.689 . . . . 99.99 106.44 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' NZ ' ' A' ' 106' ' ' LYS . 3.8 pm0 -58.38 -33.78 69.97 Favored 'General case' 0 C--N 1.387 2.217 0 CA-C-N 115.096 -0.956 . . . . 99.99 113.093 -161.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.44 ' OD2' ' NE2' ' A' ' 44' ' ' GLN . 27.5 m-20 -95.14 31.32 1.94 Allowed 'General case' 0 C--N 1.377 1.786 0 O-C-N 124.957 1.41 . . . . 99.99 111.342 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.82 -13.67 56.24 Favored Glycine 0 C--N 1.383 3.148 0 N-CA-C 117.392 1.717 . . . . 99.99 117.392 156.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -72.14 133.44 45.17 Favored 'General case' 0 C--N 1.377 1.778 0 CA-C-O 122.395 1.093 . . . . 99.99 108.498 -174.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 m -100.94 108.61 20.39 Favored 'General case' 0 C--N 1.381 1.96 0 N-CA-C 106.097 -1.816 . . . . 99.99 106.097 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -110.63 152.97 25.84 Favored 'General case' 0 C--N 1.38 1.894 0 CA-C-O 123.823 1.773 . . . . 99.99 108.553 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -136.51 142.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 CA-C-N 112.465 -2.152 . . . . 99.99 105.592 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.69 -137.33 14.21 Favored Glycine 0 C--N 1.378 2.863 0 CA-C-O 124.381 2.101 . . . . 99.99 113.984 167.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -57.35 -47.26 99.32 Favored Pre-proline 0 C--N 1.385 2.113 0 CA-C-N 113.218 -1.491 . . . . 99.99 111.066 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.5 -1.4 9.7 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-N 121.436 1.549 . . . . 99.99 114.784 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.46 -35.39 13.67 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 115.93 -0.577 . . . . 99.99 111.46 166.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.656 ' NZ ' ' OE2' ' A' ' 264' ' ' GLU . 15.2 ttpp -70.07 -47.21 62.89 Favored 'General case' 0 C--N 1.392 2.452 0 CA-C-O 121.789 0.804 . . . . 99.99 109.26 172.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -60.25 -14.03 15.69 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 115.998 1.851 . . . . 99.99 115.998 -168.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -118.16 12.07 13.43 Favored 'General case' 0 C--N 1.375 1.704 0 CA-C-N 115.789 -0.641 . . . . 99.99 112.136 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.55 -19.98 65.91 Favored 'General case' 0 C--N 1.384 2.07 0 N-CA-C 114.641 1.348 . . . . 99.99 114.641 -165.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 79.2 t -78.38 -22.97 13.34 Favored 'Isoleucine or valine' 0 C--N 1.377 1.782 0 CA-C-N 114.853 -1.067 . . . . 99.99 109.607 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.3 p -85.98 -26.21 25.59 Favored 'General case' 0 C--N 1.381 1.942 0 N-CA-C 113.429 0.9 . . . . 99.99 113.429 -167.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -151.22 58.49 2.85 Favored Pre-proline 0 C--N 1.383 2.031 0 CA-C-O 121.674 0.75 . . . . 99.99 110.728 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -66.11 -29.38 48.05 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 121.135 1.223 . . . . 99.99 114.124 -167.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -66.44 -19.32 65.76 Favored 'General case' 0 C--N 1.384 2.092 0 CA-C-O 121.457 0.646 . . . . 99.99 110.507 -173.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -123.03 28.44 7.19 Favored 'General case' 0 C--N 1.383 2.046 0 CA-C-N 114.412 -1.267 . . . . 99.99 109.78 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.0 m -112.62 127.15 56.02 Favored 'General case' 0 C--N 1.389 2.298 0 N-CA-C 104.802 -2.295 . . . . 99.99 104.802 173.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.0 mt -115.04 119.55 36.84 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 105.206 -2.146 . . . . 99.99 105.206 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -141.46 153.43 44.96 Favored 'General case' 0 C--N 1.383 2.023 0 CA-C-N 113.049 -1.887 . . . . 99.99 107.833 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 68.89 34.39 3.25 Favored 'General case' 0 C--N 1.386 2.191 0 CA-C-N 112.985 -1.916 . . . . 99.99 113.996 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.96 -14.44 18.26 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 O-C-N 121.265 -0.897 . . . . 99.99 113.049 -170.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.666 ' NZ ' ' OE2' ' A' ' 171' ' ' GLU . 24.8 ttmt -62.62 -21.27 65.53 Favored 'General case' 0 C--N 1.389 2.284 0 O-C-N 121.55 -0.719 . . . . 99.99 110.621 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -73.29 -26.23 60.99 Favored 'General case' 0 C--N 1.383 2.063 0 CA-C-O 121.501 0.667 . . . . 99.99 111.611 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.9 mt -108.1 -18.43 13.78 Favored 'General case' 0 C--N 1.382 2.021 0 CA-C-N 115.463 -0.789 . . . . 99.99 113.122 -169.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 tp -44.23 -35.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.892 0 C-N-CA 126.609 1.964 . . . . 99.99 116.116 -152.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -154.61 46.52 0.54 Allowed Glycine 0 C--N 1.374 2.661 0 CA-C-N 113.625 -1.625 . . . . 99.99 110.994 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -112.87 168.64 9.52 Favored 'General case' 0 C--N 1.384 2.091 0 N-CA-C 106.258 -1.756 . . . . 99.99 106.258 171.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -115.61 159.51 21.2 Favored 'General case' 0 C--N 1.383 2.025 0 N-CA-C 106.767 -1.568 . . . . 99.99 106.767 -168.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -55.33 -40.2 70.92 Favored 'General case' 0 C--N 1.378 1.837 0 CA-C-O 122.145 0.974 . . . . 99.99 113.354 -166.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -97.99 101.72 13.28 Favored 'General case' 0 C--N 1.388 2.244 0 N-CA-C 106.75 -1.574 . . . . 99.99 106.75 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.07 162.18 31.53 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 103.16 -2.904 . . . . 99.99 103.16 -177.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -81.08 -18.69 45.7 Favored 'General case' 0 C--N 1.381 1.973 0 N-CA-C 112.958 0.725 . . . . 99.99 112.958 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.535 ' OE1' ' NE ' ' A' ' 84' ' ' ARG . 32.4 tp10 -90.27 -48.04 7.4 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 105.449 -2.056 . . . . 99.99 105.449 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.81 -41.06 91.08 Favored 'Isoleucine or valine' 0 C--N 1.382 1.997 0 C-N-CA 118.944 -1.103 . . . . 99.99 108.765 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -65.38 -31.65 72.88 Favored 'General case' 0 C--N 1.39 2.339 0 C-N-CA 118.458 -1.297 . . . . 99.99 112.681 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.535 ' NE ' ' OE1' ' A' ' 81' ' ' GLU 0.289 10.5 ptt180 -79.25 -41.12 28.91 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 109.612 -0.514 . . . . 99.99 109.612 177.143 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.05 -42.24 80.18 Favored 'General case' 0 C--N 1.377 1.764 0 CA-C-O 122.056 0.932 . . . . 99.99 110.94 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.6 t -60.79 -22.9 27.58 Favored 'Isoleucine or valine' 0 C--N 1.381 1.962 0 O-C-N 121.197 -0.94 . . . . 99.99 111.373 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.7 p -85.89 -26.47 25.59 Favored 'General case' 0 C--N 1.381 1.94 0 CA-C-N 115.219 -0.901 . . . . 99.99 113.16 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.4 pt -113.67 -31.71 2.07 Favored 'Isoleucine or valine' 0 C--N 1.384 2.107 0 N-CA-C 114.643 1.349 . . . . 99.99 114.643 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 26.6 mmt -77.68 138.78 62.45 Favored Pre-proline 0 C--N 1.383 2.057 0 CA-C-O 122.691 1.234 . . . . 99.99 109.448 -168.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -76.56 -25.82 9.12 Favored 'Trans proline' 0 C--N 1.388 2.617 0 N-CA-C 114.581 0.954 . . . . 99.99 114.581 -174.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -83.1 149.28 27.0 Favored 'General case' 0 C--N 1.377 1.799 0 CA-C-O 123.639 1.685 . . . . 99.99 108.016 -175.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -77.4 95.4 4.42 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 124.635 2.16 . . . . 99.99 110.123 -171.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.58 144.3 11.36 Favored 'Isoleucine or valine' 0 C--N 1.39 2.343 0 CA-C-N 111.547 -2.57 . . . . 99.99 106.899 169.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.0 pt -139.65 166.32 21.15 Favored 'Isoleucine or valine' 0 C--N 1.386 2.191 0 CA-C-O 124.002 1.858 . . . . 99.99 110.622 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.29 134.06 34.53 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-N 112.65 -2.068 . . . . 99.99 106.327 168.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB2' ' CG ' ' A' ' 102' ' ' TRP . . . -78.13 161.82 27.1 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-O 124.429 2.062 . . . . 99.99 110.824 171.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.617 ' OD1' ' NZ ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -58.86 -13.7 6.97 Favored 'General case' 0 C--N 1.376 1.747 0 CA-C-N 111.984 -2.371 . . . . 99.99 114.142 175.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -106.99 2.5 25.2 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-O 122.708 1.242 . . . . 99.99 113.383 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.87 2.14 78.85 Favored Glycine 0 C--N 1.379 2.918 0 O-C-N 120.565 -1.334 . . . . 99.99 115.36 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.04 158.87 27.25 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-O 123.174 1.464 . . . . 99.99 107.736 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.46 114.69 27.29 Favored 'General case' 0 C--N 1.385 2.13 0 N-CA-C 106.642 -1.614 . . . . 99.99 106.642 172.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 1.003 ' CZ3' ' CZ2' ' A' ' 102' ' ' TRP . 14.9 m0 -127.52 173.11 10.12 Favored 'General case' 0 C--N 1.383 2.052 0 CA-C-N 113.581 -1.645 . . . . 99.99 107.504 -172.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.6 m -117.98 152.15 20.0 Favored 'Isoleucine or valine' 0 C--N 1.384 2.083 0 CA-C-O 122.484 1.135 . . . . 99.99 108.459 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -115.54 124.13 50.24 Favored 'General case' 0 C--N 1.382 2.018 0 N-CA-C 104.353 -2.462 . . . . 99.99 104.353 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.2 t -134.17 125.42 47.99 Favored 'Isoleucine or valine' 0 C--N 1.386 2.184 0 N-CA-C 106.56 -1.645 . . . . 99.99 106.56 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 44' ' ' GLN . 20.7 mtpp 50.89 22.86 1.26 Allowed 'General case' 0 C--N 1.383 2.051 0 N-CA-C 114.667 1.358 . . . . 99.99 114.667 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.33 -11.37 59.98 Favored Glycine 0 C--N 1.386 3.312 0 N-CA-C 116.609 1.403 . . . . 99.99 116.609 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -101.58 140.15 36.26 Favored 'General case' 0 C--N 1.383 2.028 0 CA-C-O 122.378 1.085 . . . . 99.99 110.433 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.617 ' NZ ' ' OD1' ' A' ' 97' ' ' ASP . 46.1 mtmt -87.86 132.25 34.26 Favored 'General case' 0 C--N 1.39 2.328 0 CA-C-N 113.479 -1.692 . . . . 99.99 108.378 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 71.4 mtm -140.11 152.04 45.81 Favored 'General case' 0 C--N 1.387 2.222 0 CA-C-O 123.273 1.511 . . . . 99.99 112.098 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.28 126.79 38.51 Favored Pre-proline 0 C--N 1.391 2.381 0 CA-C-N 112.222 -2.263 . . . . 99.99 106.155 -174.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -59.54 -21.23 61.1 Favored 'Trans proline' 0 C--N 1.377 2.05 0 N-CA-C 119.439 2.823 . . . . 99.99 119.439 -166.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -56.82 -31.5 88.81 Favored 'Trans proline' 0 C--N 1.377 2.063 0 CA-C-N 121.429 1.546 . . . . 99.99 112.453 166.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -67.15 -40.48 86.68 Favored 'General case' 0 C--N 1.384 2.088 0 N-CA-C 107.842 -1.17 . . . . 99.99 107.842 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.7 mm -70.69 -55.32 14.68 Favored 'Isoleucine or valine' 0 C--N 1.383 2.049 0 N-CA-C 106.49 -1.67 . . . . 99.99 106.49 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.1 m -59.24 -23.41 62.31 Favored 'General case' 0 C--N 1.383 2.06 0 CA-C-O 121.658 0.742 . . . . 99.99 111.693 -175.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.67 -26.27 63.66 Favored 'General case' 0 C--N 1.379 1.851 0 N-CA-C 113.04 0.756 . . . . 99.99 113.04 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -73.02 -19.12 61.26 Favored 'General case' 0 C--N 1.386 2.174 0 CA-C-O 122.163 0.982 . . . . 99.99 111.123 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.6 -48.1 42.1 Favored 'Isoleucine or valine' 0 C--N 1.385 2.13 0 N-CA-C 105.284 -2.117 . . . . 99.99 105.284 171.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.44 -39.65 89.0 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-N 114.847 -1.07 . . . . 99.99 109.741 -173.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -61.33 -39.55 90.96 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-O 122.009 0.909 . . . . 99.99 110.386 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.617 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 51.2 tttp -68.35 -42.97 78.47 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 119.519 -0.872 . . . . 99.99 109.648 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 36.9 mmt -63.34 -40.45 97.33 Favored 'General case' 0 C--N 1.388 2.258 0 CA-C-O 122.451 1.12 . . . . 99.99 110.213 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.617 ' NZ ' ' OE2' ' A' ' 128' ' ' GLU . 52.6 tttm -61.22 -49.95 75.08 Favored 'General case' 0 C--N 1.377 1.801 0 CA-C-N 114.664 -1.153 . . . . 99.99 108.855 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.634 ' NZ ' ' OD1' ' A' ' 129' ' ' ASP . 28.0 tptp -56.51 -46.49 80.51 Favored 'General case' 0 C--N 1.385 2.131 0 CA-C-N 115.1 -0.955 . . . . 99.99 109.847 176.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.1 m -57.83 -42.92 85.37 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 121.925 0.869 . . . . 99.99 110.654 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.23 72.26 Favored 'General case' 0 C--N 1.383 2.05 0 CA-C-O 121.612 0.72 . . . . 99.99 111.213 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.617 ' OE2' ' NZ ' ' A' ' 124' ' ' LYS . 89.8 mt-10 -59.36 -40.56 86.85 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-O 122.709 1.243 . . . . 99.99 109.745 -176.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.634 ' OD1' ' NZ ' ' A' ' 125' ' ' LYS . 85.9 m-20 -62.57 -28.46 69.89 Favored 'General case' 0 C--N 1.384 2.083 0 CA-C-N 114.501 -1.227 . . . . 99.99 112.688 -176.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -82.74 -43.43 16.8 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-O 122.121 0.963 . . . . 99.99 109.953 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.98 -37.06 58.96 Favored 'General case' 0 C--N 1.382 2.008 0 CA-C-N 115.184 -0.917 . . . . 99.99 110.977 -173.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.27 -24.92 16.64 Favored Glycine 0 C--N 1.376 2.785 0 CA-C-N 115.325 -0.852 . . . . 99.99 114.19 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -94.21 152.97 40.67 Favored Pre-proline 0 C--N 1.376 1.725 0 N-CA-C 107.616 -1.253 . . . . 99.99 107.616 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.03 133.71 18.53 Favored 'Trans proline' 0 C--N 1.381 2.238 0 CA-C-O 124.238 1.682 . . . . 99.99 110.43 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.532 ' O ' ' NZ ' ' A' ' 124' ' ' LYS . 49.2 t -95.18 148.89 4.76 Favored 'Isoleucine or valine' 0 C--N 1.378 1.805 0 N-CA-C 102.428 -3.175 . . . . 99.99 102.428 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.21 11.16 3.55 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-O 123.01 1.386 . . . . 99.99 112.925 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.642 ' OE1' ' N ' ' A' ' 4' ' ' ILE . 53.7 mt-10 -145.0 150.38 36.81 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 123.839 0.856 . . . . 99.99 109.495 -164.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -142.88 160.59 40.05 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-O 124.002 1.858 . . . . 99.99 113.498 171.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 30.2 t -119.88 145.11 26.63 Favored 'Isoleucine or valine' 0 C--N 1.386 2.184 0 N-CA-C 104.119 -2.549 . . . . 99.99 104.119 150.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.7 mt -138.1 146.25 27.33 Favored 'Isoleucine or valine' 0 C--N 1.387 2.225 0 CA-C-N 113.098 -1.864 . . . . 99.99 107.167 -172.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' THR . . . . . 0.412 ' OG1' ' OD1' ' A' ' 8' ' ' ASP . 33.8 p -88.38 152.14 22.11 Favored 'General case' 0 C--N 1.379 1.857 0 CA-C-N 113.092 -1.867 . . . . 99.99 112.318 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.0 m -149.87 161.76 30.28 Favored Pre-proline 0 C--N 1.392 2.445 0 CA-C-N 114.202 -1.363 . . . . 99.99 110.081 166.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -63.96 170.58 8.67 Favored 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-O 124.666 1.861 . . . . 99.99 111.943 167.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.6 -23.65 42.54 Favored 'General case' 0 C--N 1.392 2.444 0 CA-C-N 114.062 -1.426 . . . . 99.99 114.177 -175.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -97.87 14.37 27.36 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 114.486 1.291 . . . . 99.99 114.486 -171.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -82.19 139.67 34.16 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 122.89 1.329 . . . . 99.99 108.356 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -91.32 -177.96 5.0 Favored 'General case' 0 C--N 1.386 2.183 0 CA-C-N 113.51 -1.677 . . . . 99.99 109.602 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.87 -34.65 76.37 Favored 'General case' 0 C--N 1.38 1.925 0 CA-C-N 114.489 -1.232 . . . . 99.99 112.311 -174.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -69.61 -39.92 76.92 Favored 'General case' 0 C--N 1.38 1.921 0 N-CA-C 107.79 -1.189 . . . . 99.99 107.79 -176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -73.71 -36.09 65.2 Favored 'General case' 0 C--N 1.386 2.154 0 CA-C-N 114.767 -1.106 . . . . 99.99 110.076 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -67.35 -43.36 81.69 Favored 'General case' 0 C--N 1.385 2.116 0 O-C-N 121.561 -0.712 . . . . 99.99 110.346 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -69.52 -37.05 76.97 Favored 'General case' 0 C--N 1.384 2.066 0 O-C-N 121.746 -0.596 . . . . 99.99 110.189 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -55.36 -37.15 67.13 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-O 122.492 1.139 . . . . 99.99 112.161 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.5 m -71.04 -35.74 72.08 Favored 'General case' 0 C--N 1.384 2.1 0 CA-C-N 115.448 -0.796 . . . . 99.99 110.647 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -69.04 -37.54 78.65 Favored 'General case' 0 C--N 1.379 1.877 0 CA-C-O 121.909 0.861 . . . . 99.99 110.208 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.02 -44.09 97.46 Favored 'General case' 0 C--N 1.379 1.889 0 CA-C-N 114.82 -1.082 . . . . 99.99 108.135 175.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -58.28 -35.29 71.57 Favored 'General case' 0 C--N 1.387 2.229 0 CA-C-O 122.317 1.056 . . . . 99.99 111.407 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -63.12 -50.95 58.94 Favored Glycine 0 C--N 1.38 3.028 0 CA-C-O 122.313 0.952 . . . . 99.99 112.448 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.93 -39.26 88.77 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 120.317 -0.553 . . . . 99.99 110.574 -174.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 69.2 mt -63.61 -22.79 31.74 Favored 'Isoleucine or valine' 0 C--N 1.377 1.786 0 CA-C-O 121.597 0.713 . . . . 99.99 110.304 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -90.65 -2.47 57.85 Favored 'General case' 0 C--N 1.38 1.914 0 CA-C-O 121.769 0.795 . . . . 99.99 112.615 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 75.17 27.16 64.62 Favored Glycine 0 C--N 1.382 3.12 0 CA-C-O 121.83 0.683 . . . . 99.99 112.153 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 42.3 mt -112.93 115.96 29.24 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 106.698 -1.593 . . . . 99.99 106.698 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.504 ' OE1' ' NZ ' ' A' ' 166' ' ' LYS . 21.7 mt-10 -76.09 129.63 37.11 Favored 'General case' 0 C--N 1.377 1.783 0 C-N-CA 118.648 -1.221 . . . . 99.99 108.726 171.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 39.3 t -93.71 103.04 14.26 Favored 'Isoleucine or valine' 0 C--N 1.379 1.848 0 N-CA-C 105.647 -1.983 . . . . 99.99 105.647 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.504 ' NZ ' ' OE1' ' A' ' 164' ' ' GLU . 68.4 mmtt -87.1 -6.69 58.59 Favored 'General case' 0 C--N 1.395 2.567 0 CA-C-N 112.678 -2.055 . . . . 99.99 111.822 -168.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -172.83 154.88 3.03 Favored 'General case' 0 C--N 1.381 1.939 0 N-CA-C 103.75 -2.685 . . . . 99.99 103.75 167.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 15.7 tt -132.33 119.14 38.54 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 N-CA-C 104.742 -2.318 . . . . 99.99 104.742 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 32.2 pt -119.05 162.82 16.85 Favored 'Isoleucine or valine' 0 C--N 1.38 1.917 0 CA-C-O 124.871 2.272 . . . . 99.99 109.119 -166.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -92.48 148.88 21.75 Favored 'General case' 0 C--N 1.377 1.8 0 CA-C-N 111.841 -2.436 . . . . 99.99 107.288 -170.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.666 ' OE2' ' NZ ' ' A' ' 70' ' ' LYS . 37.7 mt-10 -58.16 -45.0 99.77 Favored Pre-proline 0 C--N 1.375 1.703 0 CA-C-N 113.133 -1.849 . . . . 99.99 112.064 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -62.72 -34.1 74.6 Favored 'Trans proline' 0 C--N 1.378 2.099 0 CA-C-N 121.259 1.486 . . . . 99.99 114.409 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.2 m -68.9 -45.34 71.18 Favored 'General case' 0 C--N 1.382 2.002 0 N-CA-C 105.082 -2.192 . . . . 99.99 105.082 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.35 88.0 Favored 'General case' 0 C--N 1.385 2.146 0 CA-C-N 113.017 -1.901 . . . . 99.99 109.815 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.04 -49.62 73.21 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 120.639 -0.424 . . . . 99.99 111.082 173.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.61 96.65 Favored 'General case' 0 C--N 1.382 1.997 0 CA-C-O 121.939 0.876 . . . . 99.99 112.952 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.67 -41.76 99.25 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-O 123.19 1.471 . . . . 99.99 109.26 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -59.36 -36.38 75.64 Favored 'General case' 0 C--N 1.382 1.992 0 N-CA-C 114.57 1.322 . . . . 99.99 114.57 -170.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -91.36 12.35 20.77 Favored 'General case' 0 C--N 1.382 1.998 0 CA-C-N 115.434 -0.803 . . . . 99.99 111.304 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 91.34 14.39 57.31 Favored Glycine 0 C--N 1.388 3.461 0 N-CA-C 118.206 2.042 . . . . 99.99 118.206 168.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 7.8 mp -89.42 53.66 2.69 Favored 'General case' 0 C--N 1.377 1.777 0 CA-C-O 123.604 1.669 . . . . 99.99 109.773 -171.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.58 -28.4 21.96 Favored 'General case' 0 C--N 1.384 2.095 0 CA-C-N 112.72 -2.036 . . . . 99.99 110.891 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -172.22 169.69 5.36 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-N 113.91 -1.495 . . . . 99.99 109.052 -167.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 93.78 27.0 13.4 Favored Glycine 0 C--N 1.385 3.288 0 CA-C-N 114.511 -1.222 . . . . 99.99 113.952 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.49 166.65 32.03 Favored 'General case' 0 C--N 1.374 1.635 0 N-CA-C 101.863 -3.384 . . . . 99.99 101.863 167.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -82.79 -32.81 26.02 Favored Glycine 0 C--N 1.374 2.693 0 C-N-CA 119.699 -1.239 . . . . 99.99 111.596 171.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -156.63 143.05 18.34 Favored 'General case' 0 C--N 1.378 1.825 0 N-CA-C 103.903 -2.628 . . . . 99.99 103.903 -173.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -141.02 139.51 34.16 Favored 'General case' 0 C--N 1.382 2.011 0 CA-C-O 122.87 1.319 . . . . 99.99 109.074 161.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' THR . . . . . . . . . . . . . 61.6 m -109.64 116.51 31.86 Favored 'General case' 0 C--N 1.382 2.0 0 N-CA-C 103.809 -2.663 . . . . 99.99 103.809 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' ILE . . . . . . . . . . . . . 54.6 mt -113.24 145.08 19.63 Favored 'Isoleucine or valine' 0 C--N 1.385 2.112 0 CA-C-N 112.955 -1.93 . . . . 99.99 107.267 -169.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -112.98 123.48 50.43 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-N 113.162 -1.836 . . . . 99.99 107.433 165.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.45 113.18 42.42 Favored 'Isoleucine or valine' 0 C--N 1.385 2.121 0 CA-C-N 114.304 -1.316 . . . . 99.99 107.63 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -104.41 108.32 19.68 Favored 'General case' 0 C--N 1.383 2.06 0 N-CA-C 104.079 -2.563 . . . . 99.99 104.079 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -111.95 110.72 21.2 Favored 'General case' 0 C--N 1.384 2.089 0 N-CA-C 106.25 -1.759 . . . . 99.99 106.25 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.2 tp -125.79 91.03 3.31 Favored 'General case' 0 C--N 1.392 2.44 0 N-CA-C 106.057 -1.831 . . . . 99.99 106.057 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -88.45 -140.44 7.19 Favored Glycine 0 C--N 1.384 3.197 0 CA-C-N 111.752 -2.476 . . . . 99.99 113.849 -160.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' GLY . . . . . . . . . . . . . . . -86.55 -34.77 11.24 Favored Glycine 0 C--N 1.386 3.316 0 CA-C-N 113.197 -1.502 . . . . 99.99 111.846 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -159.54 36.52 0.48 Allowed Glycine 0 C--N 1.387 3.415 0 CA-C-N 114.546 -0.827 . . . . 99.99 112.562 -175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -169.17 159.68 9.18 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-N 112.656 -1.772 . . . . 99.99 108.685 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 200' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -135.46 134.05 39.19 Favored 'General case' 0 C--N 1.389 2.313 0 CA-C-N 111.279 -2.692 . . . . 99.99 107.474 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -137.09 143.27 42.48 Favored 'General case' 0 C--N 1.384 2.072 0 CA-C-O 124.515 2.103 . . . . 99.99 106.761 172.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 2.3 tp -120.1 127.87 75.92 Favored 'Isoleucine or valine' 0 C--N 1.385 2.117 0 N-CA-C 101.57 -3.493 . . . . 99.99 101.57 166.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' SER . . . . . . . . . . . . . 31.7 m -134.71 122.73 22.6 Favored 'General case' 0 C--N 1.377 1.786 0 N-CA-C 106.779 -1.563 . . . . 99.99 106.779 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ILE . . . . . . . . . . . . . 17.5 mt -106.37 126.33 62.05 Favored 'Isoleucine or valine' 0 C--N 1.385 2.145 0 N-CA-C 102.89 -3.004 . . . . 99.99 102.89 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 218' ' ' VAL . 26.8 pt -138.21 150.69 24.62 Favored 'Isoleucine or valine' 0 C--N 1.385 2.152 0 CA-C-N 111.63 -2.532 . . . . 99.99 107.55 -166.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -117.9 132.29 56.43 Favored 'General case' 0 C--N 1.383 2.053 0 CA-C-N 112.775 -2.011 . . . . 99.99 105.702 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 24.7 mm -119.36 114.85 45.84 Favored 'Isoleucine or valine' 0 C--N 1.386 2.187 0 N-CA-C 104.339 -2.467 . . . . 99.99 104.339 173.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -120.29 137.98 53.95 Favored 'General case' 0 C--N 1.377 1.776 0 N-CA-C 105.495 -2.039 . . . . 99.99 105.495 -175.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -112.3 -5.81 14.12 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-N 113.757 -1.565 . . . . 99.99 110.051 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 38.3 t -80.62 -5.48 8.51 Favored 'Isoleucine or valine' 0 C--N 1.388 2.251 0 O-C-N 120.517 -1.364 . . . . 99.99 112.702 -168.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -91.34 11.86 22.32 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-O 121.782 0.801 . . . . 99.99 111.483 170.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' GLY . . . . . . . . . . . . . . . 98.39 52.26 1.35 Allowed Glycine 0 C--N 1.383 3.141 0 CA-C-N 114.864 -1.062 . . . . 99.99 111.175 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 62.38 41.66 9.84 Favored 'General case' 0 C--N 1.382 2.012 0 CA-C-N 113.424 -1.388 . . . . 99.99 110.248 170.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' LYS . . . . . 0.638 ' O ' ' NZ ' ' A' ' 214' ' ' LYS . 0.0 OUTLIER -163.73 84.7 0.47 Allowed 'General case' 0 C--N 1.395 2.572 0 N-CA-C 115.067 1.506 . . . . 99.99 115.067 176.251 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 215' ' ' THR . . . . . 0.416 ' OG1' ' NZ ' ' A' ' 214' ' ' LYS . 0.3 OUTLIER -157.65 131.21 7.86 Favored 'General case' 0 C--N 1.378 1.806 0 C-N-CA 117.997 -1.481 . . . . 99.99 113.731 139.349 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 216' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -118.61 102.33 8.79 Favored 'General case' 0 C--N 1.391 2.396 0 N-CA-C 104.831 -2.285 . . . . 99.99 104.831 171.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -125.41 146.65 49.51 Favored 'General case' 0 C--N 1.385 2.124 0 CA-C-O 122.375 1.083 . . . . 99.99 111.284 -171.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 0.446 ' HA ' HG22 ' A' ' 205' ' ' ILE . 87.8 t -98.73 120.46 48.08 Favored 'Isoleucine or valine' 0 C--N 1.391 2.406 0 N-CA-C 106.279 -1.749 . . . . 99.99 106.279 176.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 40.7 tp -90.57 -46.13 8.49 Favored 'General case' 0 C--N 1.386 2.169 0 CA-C-N 114.973 -1.012 . . . . 99.99 109.334 -171.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -157.54 137.48 12.42 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 114.504 -1.225 . . . . 99.99 108.232 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' THR . . . . . . . . . . . . . 3.7 m -133.36 146.55 51.38 Favored 'General case' 0 C--N 1.382 2.005 0 N-CA-C 106.653 -1.61 . . . . 99.99 106.653 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -157.26 169.71 24.12 Favored 'General case' 0 C--N 1.383 2.064 0 N-CA-C 105.541 -2.022 . . . . 99.99 105.541 170.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 179.93 179.38 48.8 Favored Glycine 0 C--N 1.37 2.458 0 N-CA-C 107.946 -2.061 . . . . 99.99 107.946 -167.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 225' ' ' THR . 68.1 t0 -151.76 155.18 37.74 Favored 'General case' 0 C--N 1.373 1.625 0 CA-C-O 126.149 2.88 . . . . 99.99 107.03 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 225' ' ' THR . . . . . 0.52 ' N ' ' OD1' ' A' ' 224' ' ' ASP . 23.1 m -95.2 -35.47 11.83 Favored 'General case' 0 C--N 1.37 1.46 1 CA-C-N 107.483 -4.417 . . . . 99.99 108.067 -155.368 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -143.44 66.93 1.29 Allowed 'General case' 0 C--N 1.387 2.238 0 N-CA-C 104.987 -2.227 . . . . 99.99 104.987 -174.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' LEU . . . . . . . . . . . . . 7.9 tt -116.83 141.95 47.56 Favored 'General case' 0 C--N 1.384 2.084 0 CA-C-O 122.668 1.223 . . . . 99.99 110.736 -174.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . 77.08 -154.68 43.32 Favored Glycine 0 C--N 1.39 3.534 0 N-CA-C 106.181 -2.767 . . . . 99.99 106.181 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 229' ' ' GLY . . . . . . . . . . . . . . . 49.63 -93.68 0.01 OUTLIER Glycine 0 C--N 1.376 2.789 0 CA-C-O 124.465 2.147 . . . . 99.99 115.807 155.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 230' ' ' GLU . . . . . . . . . . . . 0.252 6.4 pt-20 -66.12 -31.14 71.81 Favored 'General case' 0 C--N 1.391 2.381 0 CA-C-N 113.471 -1.364 . . . . 99.99 113.288 -160.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 231' ' ' ASP . . . . . 0.861 ' HB2' HD11 ' A' ' 312' ' ' LEU . 37.3 m-20 -92.22 -10.64 37.89 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-O 121.873 0.844 . . . . 99.99 111.922 178.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.26 -50.14 4.45 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-O 123.182 1.468 . . . . 99.99 108.032 -173.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 233' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -69.7 -28.8 66.14 Favored 'General case' 0 C--N 1.377 1.776 0 N-CA-C 103.803 -2.666 . . . . 99.99 103.803 -171.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 19.4 m -62.29 -23.19 66.59 Favored 'General case' 0 C--N 1.39 2.339 0 N-CA-C 114.136 1.162 . . . . 99.99 114.136 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 235' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -74.02 -41.9 61.16 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 106.008 -1.849 . . . . 99.99 106.008 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 236' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.21 -46.79 48.37 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-N 113.709 -1.587 . . . . 99.99 109.99 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 237' ' ' ILE . . . . . . . . . . . . . 5.1 mm -52.02 -46.72 42.57 Favored 'Isoleucine or valine' 0 C--N 1.388 2.274 0 N-CA-C 106.968 -1.494 . . . . 99.99 106.968 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 238' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -69.11 -36.11 77.17 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-N 114.283 -1.326 . . . . 99.99 112.728 -172.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -60.98 -44.3 97.55 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-O 122.222 1.011 . . . . 99.99 109.034 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 240' ' ' LEU . . . . . . . . . . . . . 41.7 mt -65.54 -35.84 82.03 Favored 'General case' 0 C--N 1.384 2.099 0 CA-C-N 114.841 -1.072 . . . . 99.99 109.756 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.64 -55.36 24.26 Favored 'Isoleucine or valine' 0 C--N 1.386 2.179 0 N-CA-C 108.869 -0.789 . . . . 99.99 108.869 172.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 242' ' ' GLU . . . . . 0.567 ' OE1' ' NZ ' ' A' ' 245' ' ' LYS . 72.4 mm-40 -67.34 -28.17 67.75 Favored 'General case' 0 C--N 1.386 2.183 0 C-N-CA 117.702 -1.599 . . . . 99.99 112.151 -171.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 243' ' ' GLU . . . . . 0.546 ' OE1' ' NZ ' ' A' ' 246' ' ' LYS . 1.4 tp10 -67.02 -44.42 80.32 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-O 122.74 1.257 . . . . 99.99 108.844 175.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 244' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -64.38 -42.63 96.06 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-O 122.458 1.123 . . . . 99.99 110.253 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 245' ' ' LYS . . . . . 0.567 ' NZ ' ' OE1' ' A' ' 242' ' ' GLU . 24.0 ttpt -60.47 -37.24 80.39 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-O 122.613 1.197 . . . . 99.99 109.699 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 246' ' ' LYS . . . . . 0.546 ' NZ ' ' OE1' ' A' ' 243' ' ' GLU . 28.7 ttmt -71.95 -51.91 19.74 Favored 'General case' 0 C--N 1.377 1.788 0 CA-C-N 113.832 -1.531 . . . . 99.99 109.665 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 247' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.51 -44.4 64.74 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 120.307 -0.557 . . . . 99.99 111.317 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -116.25 3.8 13.46 Favored 'General case' 0 C--N 1.387 2.237 0 N-CA-C 116.428 2.01 . . . . 99.99 116.428 -166.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 249' ' ' GLY . . . . . . . . . . . . . . . 68.74 21.83 75.1 Favored Glycine 0 C--N 1.38 3.008 0 N-CA-C 115.812 1.085 . . . . 99.99 115.812 164.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 250' ' ' ILE . . . . . . . . . . . . . 21.1 mm -141.47 144.93 25.34 Favored 'Isoleucine or valine' 0 C--N 1.379 1.874 0 N-CA-C 106.391 -1.707 . . . . 99.99 106.391 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 252' ' ' LEU . 19.4 t0 -92.44 161.62 14.57 Favored 'General case' 0 C--N 1.383 2.03 0 CA-C-O 123.499 1.618 . . . . 99.99 110.009 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 252' ' ' LEU . . . . . 0.481 ' N ' ' OD1' ' A' ' 251' ' ' ASP . 6.6 mp -124.06 -22.34 4.84 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 110.856 -2.884 . . . . 99.99 111.163 -177.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.88 -15.06 62.6 Favored 'General case' 0 C--N 1.388 2.27 0 CA-C-O 123.022 1.391 . . . . 99.99 110.95 -174.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 254' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -80.46 -17.34 51.99 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 113.148 -1.842 . . . . 99.99 112.439 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -108.81 112.42 60.34 Favored Pre-proline 0 C--N 1.376 1.749 0 N-CA-C 107.476 -1.305 . . . . 99.99 107.476 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -66.87 -23.88 47.05 Favored 'Trans proline' 0 C--N 1.385 2.498 0 N-CA-C 115.384 1.263 . . . . 99.99 115.384 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 257' ' ' LEU . . . . . . . . . . . . . 6.0 tt -87.48 -44.66 11.13 Favored 'General case' 0 C--N 1.376 1.74 0 N-CA-C 105.262 -2.125 . . . . 99.99 105.262 -169.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 258' ' ' ALA . . . . . . . . . . . . . . . -64.31 -38.73 92.06 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 114.602 -1.181 . . . . 99.99 109.563 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 259' ' ' MET . . . . . . . . . . . . . 24.1 mmt -60.11 -47.11 87.26 Favored 'General case' 0 C--N 1.382 1.989 0 C-N-CA 119.707 -0.797 . . . . 99.99 109.469 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 260' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.14 -43.64 94.62 Favored 'General case' 0 C--N 1.381 1.945 0 CA-C-O 121.593 0.711 . . . . 99.99 110.919 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 261' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -68.01 -41.02 82.84 Favored 'General case' 0 C--N 1.388 2.266 0 CA-C-N 115.475 -0.784 . . . . 99.99 110.443 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 17.5 tp -61.38 -41.29 96.87 Favored 'General case' 0 C--N 1.387 2.225 0 C-N-CA 119.01 -1.076 . . . . 99.99 110.244 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.4 -61.26 2.46 Favored 'General case' 0 C--N 1.378 1.821 0 CA-C-O 121.161 0.505 . . . . 99.99 110.172 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 264' ' ' GLU . . . . . 0.656 ' OE2' ' NZ ' ' A' ' 55' ' ' LYS . 14.0 mt-10 -58.44 -40.68 83.21 Favored 'General case' 0 C--N 1.388 2.279 0 CA-C-O 121.523 0.678 . . . . 99.99 111.483 -176.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 265' ' ' ALA . . . . . . . . . . . . . . . -70.62 -44.72 66.64 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 119.592 -0.843 . . . . 99.99 112.399 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -72.53 -32.67 66.3 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-O 121.773 0.797 . . . . 99.99 110.968 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -65.91 -33.42 75.8 Favored 'General case' 0 C--N 1.386 2.153 0 CA-C-N 114.982 -1.008 . . . . 99.99 109.86 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 268' ' ' LYS . . . . . 0.713 ' NZ ' ' OE2' ' A' ' 272' ' ' GLU . 62.4 tttm -69.93 -47.07 63.84 Favored 'General case' 0 C--N 1.384 2.076 0 N-CA-C 107.777 -1.194 . . . . 99.99 107.777 174.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.62 88.65 Favored 'General case' 0 C--N 1.383 2.026 0 CA-C-O 121.122 0.487 . . . . 99.99 110.986 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 270' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -56.66 -38.56 72.36 Favored 'General case' 0 C--N 1.385 2.13 0 CA-C-O 122.639 1.209 . . . . 99.99 111.037 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 271' ' ' ILE . . . . . . . . . . . . . 72.4 mt -70.11 -24.32 26.09 Favored 'Isoleucine or valine' 0 C--N 1.386 2.154 0 CA-C-N 114.861 -1.063 . . . . 99.99 110.449 -175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 272' ' ' GLU . . . . . 0.713 ' OE2' ' NZ ' ' A' ' 268' ' ' LYS . 85.0 mt-10 -78.11 -41.28 35.59 Favored 'General case' 0 C--N 1.379 1.875 0 CA-C-O 122.028 0.918 . . . . 99.99 109.411 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 273' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.39 -3.42 17.46 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 114.235 1.198 . . . . 99.99 114.235 -168.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 274' ' ' SER . . . . . 0.513 ' CB ' ' HD2' ' A' ' 347' ' ' PRO . 69.5 m -105.24 40.87 1.44 Allowed 'General case' 1 C--O 1.396 8.766 1 CA-C-O 108.777 -5.392 . . . . 99.99 108.343 175.249 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 275' ' ' SER . . . . . 0.406 ' H ' ' H ' ' A' ' 276' ' ' ALA . 52.3 p -175.77 0.23 0.01 OUTLIER 'General case' 1 C--N 1.448 4.86 1 O-C-N 109.694 -8.129 . . . . 99.99 108.812 -169.236 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 276' ' ' ALA . . . . . 0.406 ' H ' ' H ' ' A' ' 275' ' ' SER . . . -164.33 172.33 13.64 Favored 'General case' 0 C--N 1.378 1.817 0 N-CA-C 105.24 -2.133 . . . . 99.99 105.24 -175.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 277' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -87.49 -30.91 20.28 Favored 'General case' 0 C--N 1.381 1.946 0 CA-C-N 115.211 -0.904 . . . . 99.99 111.017 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 278' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -153.32 155.76 37.08 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-O 122.122 0.963 . . . . 99.99 111.578 -168.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 279' ' ' THR . . . . . . . . . . . . . 5.7 t -158.58 158.0 33.06 Favored 'General case' 0 C--N 1.381 1.948 0 N-CA-C 104.552 -2.388 . . . . 99.99 104.552 171.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -111.91 126.27 54.93 Favored 'General case' 0 C--N 1.376 1.747 0 CA-C-O 122.946 1.355 . . . . 99.99 107.703 -171.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 86.4 t -92.58 89.41 2.82 Favored 'Isoleucine or valine' 0 C--N 1.386 2.193 0 N-CA-C 103.748 -2.686 . . . . 99.99 103.748 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -97.5 129.06 44.71 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 112.654 -2.066 . . . . 99.99 107.126 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 12.2 mt -144.15 102.12 4.81 Favored Pre-proline 0 C--N 1.378 1.814 0 N-CA-C 107.693 -1.225 . . . . 99.99 107.693 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -79.15 140.06 15.42 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 121.112 1.208 . . . . 99.99 109.021 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 285' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 52.02 71.42 0.46 Allowed 'General case' 0 C--N 1.386 2.157 0 CA-C-N 112.796 -2.002 . . . . 99.99 108.47 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.5 tp -92.29 -40.81 12.52 Favored 'Isoleucine or valine' 0 C--N 1.39 2.329 0 CA-C-N 114.648 -1.16 . . . . 99.99 110.148 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 287' ' ' THR . . . . . . . . . . . . . 19.7 p -156.62 166.22 34.01 Favored 'General case' 0 C--N 1.378 1.81 0 N-CA-C 105.762 -1.94 . . . . 99.99 105.762 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -149.33 149.69 31.29 Favored 'General case' 0 C--N 1.381 1.977 0 N-CA-C 108.236 -1.024 . . . . 99.99 108.236 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 289' ' ' ASP . . . . . 0.569 ' OD2' ' NZ ' ' A' ' 294' ' ' LYS . 3.1 p30 -150.35 -171.29 3.88 Favored 'General case' 0 C--N 1.376 1.753 0 CA-C-N 113.35 -1.75 . . . . 99.99 107.804 -169.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.52 64.75 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-N 115.364 -0.835 . . . . 99.99 112.497 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 291' ' ' THR . . . . . . . . . . . . . 76.5 p -91.32 4.93 51.15 Favored 'General case' 0 C--N 1.379 1.868 0 CA-C-N 115.66 -0.7 . . . . 99.99 112.511 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 108.89 -152.62 16.99 Favored Glycine 0 C--N 1.382 3.087 0 N-CA-C 109.905 -1.278 . . . . 99.99 109.905 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.57 163.07 27.1 Favored 'Trans proline' 0 C--N 1.382 2.302 0 CA-C-O 123.274 1.281 . . . . 99.99 110.012 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' LYS . . . . . 0.569 ' NZ ' ' OD2' ' A' ' 289' ' ' ASP . 45.4 mmtm -118.4 132.77 56.24 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.179 1.942 . . . . 99.99 107.545 164.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 295' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -105.15 136.19 45.12 Favored 'General case' 0 C--N 1.384 2.107 0 N-CA-C 102.36 -3.2 . . . . 99.99 102.36 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' MET . . . . . . . . . . . . . 16.1 ttt -109.5 123.76 49.93 Favored 'General case' 0 C--N 1.375 1.684 0 N-CA-C 106.275 -1.75 . . . . 99.99 106.275 -177.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -141.3 105.23 4.76 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 105.555 -2.017 . . . . 99.99 105.555 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 29.6 mm -119.07 131.98 70.26 Favored 'Isoleucine or valine' 0 C--N 1.384 2.078 0 CA-C-O 123.749 1.738 . . . . 99.99 106.389 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -90.45 129.89 36.58 Favored 'General case' 0 C--N 1.385 2.134 0 CA-C-N 113.599 -1.637 . . . . 99.99 107.112 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 300' ' ' VAL . . . . . . . . . . . . . 12.5 t -127.12 147.19 32.03 Favored 'Isoleucine or valine' 0 C--N 1.388 2.242 0 CA-C-N 112.785 -2.007 . . . . 99.99 105.945 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 301' ' ' THR . . . . . . . . . . . . . 67.6 p -127.9 163.2 24.98 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 113.604 -1.634 . . . . 99.99 106.777 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -62.09 -36.06 80.55 Favored 'General case' 0 C--N 1.384 2.089 0 CA-C-N 114.614 -1.175 . . . . 99.99 108.527 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.19 83.28 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-O 121.468 0.651 . . . . 99.99 112.641 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 304' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -71.61 -39.89 70.17 Favored 'General case' 0 C--N 1.385 2.132 0 C-N-CA 119.123 -1.031 . . . . 99.99 108.635 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 305' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.74 -54.99 38.51 Favored 'General case' 0 C--N 1.383 2.064 0 CA-C-N 114.348 -1.297 . . . . 99.99 109.932 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.77 -30.09 42.97 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 121.487 0.661 . . . . 99.99 111.393 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 307' ' ' SER . . . . . . . . . . . . . 8.9 t -86.96 5.21 38.32 Favored 'General case' 0 C--N 1.386 2.16 0 N-CA-C 115.263 1.579 . . . . 99.99 115.263 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 54.5 mt -105.52 -28.64 10.68 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-O 121.534 0.683 . . . . 99.99 111.758 171.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 22.0 m -113.08 47.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.379 1.876 0 CA-C-O 123.0 1.381 . . . . 99.99 114.024 -163.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.36 87.53 7.14 Favored 'General case' 0 C--N 1.38 1.898 0 O-C-N 119.569 -1.957 . . . . 99.99 109.804 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 311' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -174.9 -91.8 0.0 OUTLIER 'General case' 0 C--N 1.399 2.757 0 CA-C-O 123.157 1.456 . . . . 99.99 112.737 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 231' ' ' ASP . 83.1 mt -68.83 -12.29 61.37 Favored 'General case' 0 C--N 1.382 1.987 0 N-CA-C 119.887 3.291 . . . . 99.99 119.887 -146.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 35.2 t -69.32 -32.41 53.39 Favored 'Isoleucine or valine' 0 C--N 1.376 1.733 0 N-CA-C 105.533 -2.025 . . . . 99.99 105.533 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -68.05 -32.53 72.93 Favored 'General case' 0 C--N 1.384 2.109 0 N-CA-C 107.423 -1.325 . . . . 99.99 107.423 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -65.21 -11.73 43.84 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 123.014 0.525 . . . . 99.99 110.049 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 316' ' ' SER . . . . . . . . . . . . . 12.2 p -95.6 -9.04 33.27 Favored 'General case' 0 C--N 1.385 2.132 0 N-CA-C 113.548 0.944 . . . . 99.99 113.548 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.84 -21.32 5.2 Favored 'Isoleucine or valine' 0 C--N 1.378 1.836 0 C-N-CA 124.802 1.241 . . . . 99.99 108.863 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -68.14 -57.15 9.6 Favored Pre-proline 0 C--N 1.378 1.84 0 C-N-CA 123.611 0.764 . . . . 99.99 112.385 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.64 -16.53 46.92 Favored 'Trans proline' 0 C--N 1.377 2.034 0 CA-C-N 122.161 1.808 . . . . 99.99 111.974 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 12.1 tp -68.64 -19.04 64.4 Favored 'General case' 0 C--N 1.382 1.998 0 CA-C-N 113.892 -1.504 . . . . 99.99 109.673 174.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -79.23 -47.65 15.59 Favored 'General case' 0 C--N 1.39 2.331 0 N-CA-C 108.208 -1.034 . . . . 99.99 108.208 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 9.3 m -66.64 -35.3 74.48 Favored 'Isoleucine or valine' 0 C--N 1.386 2.185 0 CA-C-O 122.46 1.124 . . . . 99.99 109.456 -172.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.49 67.94 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 114.567 -1.197 . . . . 99.99 111.91 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 66.9 mt -90.25 -44.4 9.75 Favored 'General case' 0 C--N 1.385 2.148 0 CA-C-N 115.009 -0.996 . . . . 99.99 110.107 174.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -63.17 -37.03 85.62 Favored 'General case' 0 C--N 1.385 2.126 0 CA-C-N 116.359 -0.382 . . . . 99.99 111.836 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -71.13 -35.74 71.83 Favored 'General case' 0 C--N 1.379 1.876 0 CA-C-O 121.962 0.887 . . . . 99.99 109.522 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' ALA . . . . . . . . . . . . . . . -79.4 -32.94 43.06 Favored 'General case' 0 C--N 1.383 2.061 0 CA-C-O 122.412 1.101 . . . . 99.99 112.533 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 86.27 25.97 35.05 Favored Glycine 0 C--N 1.383 3.155 0 CA-C-N 114.722 -1.126 . . . . 99.99 114.112 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.38 161.51 16.59 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-O 122.452 1.12 . . . . 99.99 110.1 -176.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 10.0 t -108.6 164.86 11.99 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.582 2.134 . . . . 99.99 110.769 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 331' ' ' VAL . . . . . . . . . . . . . 23.7 m -65.93 -19.7 26.1 Favored 'Isoleucine or valine' 0 C--N 1.388 2.242 0 CA-C-N 113.371 -1.74 . . . . 99.99 112.304 -172.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.4 t -81.5 -16.48 51.73 Favored 'General case' 0 C--N 1.383 2.056 0 CA-C-N 114.113 -1.403 . . . . 99.99 113.234 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -82.82 -19.69 37.16 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 123.716 1.722 . . . . 99.99 108.63 -169.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 31.7 mm -83.61 129.6 37.25 Favored 'Isoleucine or valine' 0 C--N 1.383 2.064 0 CA-C-N 112.125 -2.307 . . . . 99.99 105.035 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.79 -54.85 5.45 Favored 'General case' 0 C--N 1.382 2.013 0 N-CA-C 105.708 -1.96 . . . . 99.99 105.708 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -124.32 128.79 49.65 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 113.478 -1.692 . . . . 99.99 109.267 -166.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.17 118.89 55.82 Favored 'Isoleucine or valine' 0 C--N 1.383 2.06 0 N-CA-C 104.67 -2.344 . . . . 99.99 104.67 164.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 48.3 pt -118.24 142.14 34.27 Favored 'Isoleucine or valine' 0 C--N 1.384 2.089 0 CA-C-N 112.995 -1.911 . . . . 99.99 110.027 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 85.0 mt -101.97 142.65 32.92 Favored 'General case' 0 C--N 1.387 2.203 0 CA-C-N 113.042 -1.89 . . . . 99.99 111.356 -171.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' VAL . . . . . . . . . . . . . 60.6 t -136.63 153.57 30.77 Favored 'Isoleucine or valine' 0 C--N 1.381 1.936 0 N-CA-C 106.466 -1.679 . . . . 99.99 106.466 166.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' GLY . . . . . . . . . . . . . . . 97.05 138.49 10.11 Favored Glycine 0 C--N 1.384 3.202 0 CA-C-O 123.874 1.819 . . . . 99.99 111.287 170.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.94 -17.39 60.82 Favored Glycine 0 C--N 1.382 3.114 0 CA-C-N 113.576 -1.312 . . . . 99.99 116.349 -169.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -75.73 -13.21 60.3 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 121.955 0.883 . . . . 99.99 109.396 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 44.3 p -83.3 21.87 1.08 Allowed 'General case' 0 C--N 1.384 2.1 0 N-CA-C 114.731 1.382 . . . . 99.99 114.731 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -102.61 -5.51 23.8 Favored 'General case' 0 C--N 1.391 2.4 0 CA-C-N 113.318 -1.765 . . . . 99.99 113.18 163.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' MET . . . . . . . . . . . . . 60.4 ttp -84.32 116.51 65.32 Favored Pre-proline 0 C--N 1.369 1.443 0 N-CA-C 106.218 -1.771 . . . . 99.99 106.218 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' PRO . . . . . 0.513 ' HD2' ' CB ' ' A' ' 274' ' ' SER . 24.0 Cg_exo -47.38 -33.73 17.55 Favored 'Trans proline' 0 C--N 1.388 2.619 0 N-CA-C 116.589 1.727 . . . . 99.99 116.589 -177.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 13.6 ttp -60.67 -38.34 84.6 Favored 'General case' 0 C--N 1.377 1.79 0 CA-C-N 115.582 -0.735 . . . . 99.99 111.969 -172.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' VAL . . . . . . . . . . . . . 11.9 m -79.39 -35.77 17.28 Favored 'Isoleucine or valine' 0 C--N 1.383 2.06 0 CA-C-O 122.31 1.052 . . . . 99.99 109.697 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.21 -44.58 96.26 Favored 'General case' 0 C--N 1.376 1.743 0 N-CA-C 107.603 -1.258 . . . . 99.99 107.603 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -61.52 -54.64 40.53 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-N 115.306 -0.861 . . . . 99.99 109.68 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -69.67 -21.5 63.52 Favored 'General case' 0 C--N 1.383 2.04 0 N-CA-C 114.02 1.119 . . . . 99.99 114.02 -170.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 76.4 t -77.02 -42.74 32.1 Favored 'Isoleucine or valine' 0 C--N 1.381 1.976 0 N-CA-C 108.11 -1.07 . . . . 99.99 108.11 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.82 93.26 Favored 'General case' 0 C--N 1.386 2.18 0 CA-C-N 115.154 -0.93 . . . . 99.99 109.572 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -58.54 -33.42 69.87 Favored 'General case' 0 C--N 1.384 2.088 0 CA-C-N 115.144 -0.934 . . . . 99.99 111.951 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -82.1 -46.54 13.72 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 115.283 -0.872 . . . . 99.99 109.618 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -82.4 -25.22 33.93 Favored 'General case' 0 C--N 1.386 2.162 0 N-CA-C 114.276 1.213 . . . . 99.99 114.276 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . 92.01 -20.28 43.82 Favored Glycine 0 C--N 1.374 2.665 0 N-CA-C 114.514 0.565 . . . . 99.99 114.514 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -122.44 133.68 54.61 Favored 'General case' 0 C--N 1.374 1.659 0 N-CA-C 105.534 -2.024 . . . . 99.99 105.534 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 361' ' ' PRO . 76.7 mm-40 -64.39 132.81 95.47 Favored Pre-proline 0 C--N 1.386 2.163 0 CA-C-N 115.723 -0.671 . . . . 99.99 110.721 -171.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 361' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 360' ' ' GLU . 24.1 Cg_exo -69.44 144.9 57.27 Favored 'Trans proline' 0 C--N 1.387 2.584 0 C-N-CA 120.975 1.117 . . . . 99.99 114.148 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 362' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -88.68 132.16 34.7 Favored 'General case' 0 C--N 1.389 2.296 0 CA-C-O 124.54 2.114 . . . . 99.99 110.017 -174.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -146.22 41.14 1.16 Allowed 'General case' 0 C--N 1.393 2.465 0 CA-C-N 111.743 -2.481 . . . . 99.99 108.386 -175.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 364' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -88.14 10.57 18.88 Favored 'General case' 0 C--N 1.382 1.981 0 C-N-CA 127.032 2.133 . . . . 99.99 110.827 -173.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 365' ' ' VAL . . . . . . . . . . . . . 48.9 t -153.11 140.43 13.21 Favored 'Isoleucine or valine' 0 C--N 1.372 1.573 0 N-CA-C 101.734 -3.432 . . . . 99.99 101.734 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 366' ' ' ASN . . . . . 0.404 HD22 ' CD ' ' A' ' 369' ' ' GLU . 37.3 t30 -72.3 117.76 61.49 Favored Pre-proline 0 C--N 1.378 1.827 0 CA-C-N 115.228 -0.896 . . . . 99.99 112.478 -164.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 367' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -76.32 22.37 0.51 Allowed 'Trans proline' 0 C--N 1.386 2.544 0 N-CA-C 121.038 3.438 . . . . 99.99 121.038 -170.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 368' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -119.44 12.39 12.4 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 123.48 0.712 . . . . 99.99 111.694 156.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 369' ' ' GLU . . . . . 0.404 ' CD ' HD22 ' A' ' 366' ' ' ASN . 59.3 mt-10 -128.92 -38.52 1.65 Allowed 'General case' 0 C--N 1.388 2.241 0 C-N-CA 125.706 1.603 . . . . 99.99 111.776 175.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -45.31 -47.87 13.1 Favored 'General case' 0 C--N 1.386 2.161 0 CA-C-O 122.181 0.991 . . . . 99.99 112.167 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 371' ' ' VAL . . . . . 0.444 HG13 ' OD2' ' A' ' 8' ' ' ASP . 2.5 p -66.32 -16.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 CA-C-O 121.82 0.819 . . . . 99.99 112.878 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -88.16 -36.37 16.87 Favored 'General case' 0 C--N 1.383 2.034 0 C-N-CA 124.402 1.081 . . . . 99.99 108.934 172.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 373' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.38 -34.79 66.25 Favored 'Isoleucine or valine' 0 C--N 1.381 1.975 0 N-CA-C 107.249 -1.389 . . . . 99.99 107.249 174.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -59.7 -30.01 68.24 Favored Glycine 0 C--N 1.376 2.783 0 CA-C-N 115.44 -0.8 . . . . 99.99 114.579 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -78.71 -46.37 19.17 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 122.2 1.0 . . . . 99.99 108.331 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.13 85.25 Favored 'General case' 0 C--N 1.384 2.106 0 N-CA-C 113.877 1.065 . . . . 99.99 113.877 -176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 6.0 p -70.76 -22.36 23.2 Favored 'Isoleucine or valine' 0 C--N 1.385 2.136 0 CA-C-O 122.416 1.103 . . . . 99.99 112.49 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 378' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -81.67 -54.5 5.34 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 106.41 -1.7 . . . . 99.99 106.41 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -57.91 -46.15 92.81 Favored Glycine 0 N--CA 1.482 1.749 0 CA-C-N 115.043 -0.98 . . . . 99.99 115.376 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' GLY . . . . . . . . . . . . . . . -64.31 -108.57 0.01 OUTLIER Glycine 0 N--CA 1.476 1.358 0 C-N-CA 124.568 1.08 . . . . 99.99 114.478 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 381' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.72 -31.35 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 114.385 1.254 . . . . 99.99 114.385 -173.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 382' ' ' LEU . . . . . . . . . . . . . 3.4 tt -70.23 -71.91 0.22 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 118.679 -0.677 . . . . 99.99 110.966 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 383' ' ' THR . . . . . . . . . . . . . 2.7 m -75.47 -5.25 44.16 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.151 1.167 . . . . 99.99 114.151 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 384' ' ' GLY . . . . . . . . . . . . . . . -6.4 -73.15 0.01 OUTLIER Glycine 0 N--CA 1.482 1.734 0 O-C-N 120.524 -1.36 . . . . 99.99 115.229 123.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -135.28 -131.6 0.15 Allowed 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 106.551 -1.648 . . . . 99.99 106.551 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' VAL . . . . . 0.479 ' HA ' ' OD1' ' A' ' 481' ' ' ASP 0.715 0.1 OUTLIER 40.27 113.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.707 1 N-CA-C 130.018 7.044 . . . . 99.99 130.018 165.911 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 387' ' ' LYS . . . . . . . . . . . . 1.04 12.0 mttm 144.11 -118.27 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.423 3 N-CA-C 125.775 5.472 . . . . 99.99 125.775 143.469 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 388' ' ' ASP . . . . . 0.494 ' HA ' ' HB1' ' A' ' 480' ' ' ALA . 2.9 m-20 -142.66 167.79 21.24 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 119.648 3.203 . . . . 99.99 119.648 -143.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 389' ' ' VAL . . . . . . . . . . . . 1.198 27.5 m 149.4 -135.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.041 1 C-N-CA 134.37 5.068 . . . . 99.99 116.349 156.89 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 1.4 tp -135.12 -170.22 2.53 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.709 1.374 . . . . 99.99 114.709 -150.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 1.7 pp -107.13 168.38 9.25 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 118.753 2.871 . . . . 99.99 118.753 -170.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . 0.747 0.4 OUTLIER 118.82 -133.37 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.804 1 C-N-CA 135.084 5.354 . . . . 99.99 112.617 172.086 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 393' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -116.93 150.16 38.97 Favored 'General case' 0 N--CA 1.485 1.283 1 CA-C-N 126.26 4.118 . . . . 99.99 117.201 -166.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 394' ' ' VAL . . . . . 0.762 HG12 ' HB ' ' A' ' 395' ' ' THR 0.992 0.9 OUTLIER -154.59 -89.82 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 N-CA-C 120.393 3.479 . . . . 99.99 120.393 170.852 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 395' ' ' THR . . . . . 0.762 ' HB ' HG12 ' A' ' 394' ' ' VAL 1.051 0.9 OUTLIER 133.93 74.59 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.707 3 C-N-CA 145.07 9.348 . . . . 99.99 118.772 3.41 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 396' ' ' PRO . . . . . . . . . . . . 0.34 43.1 Cg_endo -42.83 -135.58 0.0 OUTLIER 'Trans proline' 0 CA--C 1.502 -1.105 1 C-N-CA 126.527 4.818 . . . . 99.99 120.142 -155.778 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.92 159.32 11.55 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 120.225 -1.547 . . . . 99.99 114.767 -118.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 3.9 m -68.97 155.48 40.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 124.278 1.99 . . . . 99.99 114.223 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 32.4 mt -130.21 136.62 49.42 Favored 'General case' 0 C--N 1.392 2.453 0 CA-C-N 112.176 -2.284 . . . . 99.99 106.636 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -167.48 -166.67 26.96 Favored Glycine 0 C--N 1.386 3.331 0 CA-C-N 113.227 -1.806 . . . . 99.99 112.392 -173.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 30.1 pt -135.77 162.16 37.31 Favored 'Isoleucine or valine' 0 C--N 1.387 2.204 0 CA-C-N 113.259 -1.471 . . . . 99.99 112.475 -174.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -84.45 126.13 32.99 Favored 'General case' 0 C--N 1.396 2.597 0 CA-C-N 113.526 -1.67 . . . . 99.99 109.042 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 33.0 p -116.31 167.04 11.38 Favored 'General case' 0 C--N 1.386 2.182 0 CA-C-O 124.103 1.906 . . . . 99.99 110.911 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 56.2 ttp -57.01 116.46 3.23 Favored 'General case' 0 C--N 1.396 2.616 0 CA-C-N 113.628 -1.624 . . . . 99.99 107.505 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 129.96 -28.79 3.85 Favored Glycine 0 C--N 1.382 3.108 0 CA-C-N 111.855 -2.43 . . . . 99.99 110.809 -167.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 83.01 30.35 31.79 Favored Glycine 0 C--N 1.381 3.039 0 N-CA-C 109.551 -1.42 . . . . 99.99 109.551 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 8.2 p -109.48 143.02 20.41 Favored 'Isoleucine or valine' 0 C--N 1.38 1.899 0 CA-C-N 113.307 -1.446 . . . . 99.99 107.169 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 18.6 ttt -74.92 121.46 21.93 Favored 'General case' 0 C--N 1.381 1.948 0 N-CA-C 107.127 -1.435 . . . . 99.99 107.127 169.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 52.2 m -105.67 125.15 50.65 Favored 'General case' 0 C--N 1.379 1.851 0 N-CA-C 105.365 -2.087 . . . . 99.99 105.365 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 89.7 m -87.85 134.1 33.76 Favored 'General case' 0 C--N 1.384 2.088 0 CA-C-N 113.773 -1.558 . . . . 99.99 111.486 -170.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.24 -44.98 4.01 Favored 'General case' 0 C--N 1.389 2.283 0 CA-C-N 113.61 -1.632 . . . . 99.99 110.053 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 15.9 mm -116.17 125.04 73.08 Favored 'Isoleucine or valine' 0 C--N 1.385 2.134 0 N-CA-C 104.614 -2.365 . . . . 99.99 104.614 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.94 165.76 24.23 Favored 'General case' 0 C--N 1.381 1.949 0 CA-C-O 123.913 1.815 . . . . 99.99 111.96 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' LYS . . . . . 0.551 ' NZ ' ' OE1' ' A' ' 444' ' ' GLU . 6.3 ttpm? -71.72 134.53 46.31 Favored 'General case' 0 C--N 1.384 2.073 0 CA-C-N 113.0 -1.909 . . . . 99.99 107.851 174.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . 0.289 78.4 m-20 79.47 34.86 0.18 Allowed 'General case' 0 C--N 1.379 1.885 0 CA-C-N 112.573 -2.103 . . . . 99.99 113.092 170.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 84.1 m -114.34 144.19 43.67 Favored 'General case' 0 C--N 1.381 1.946 0 CA-C-O 122.757 1.265 . . . . 99.99 109.107 174.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 78.9 p -84.31 -177.96 6.79 Favored 'General case' 0 C--N 1.392 2.435 0 CA-C-N 114.098 -1.41 . . . . 99.99 112.206 -173.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 32.0 pt -131.61 141.33 41.29 Favored Pre-proline 0 C--N 1.386 2.187 0 N-CA-C 107.985 -1.117 . . . . 99.99 107.985 -172.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.49 156.49 85.97 Favored 'Cis proline' 0 C--N 1.382 2.314 0 CA-C-O 123.376 1.324 . . . . 99.99 112.379 3.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.8 t -155.92 141.78 18.05 Favored 'General case' 0 C--N 1.383 2.038 0 CA-C-N 113.149 -1.841 . . . . 99.99 107.604 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -135.17 125.84 27.09 Favored 'General case' 0 C--N 1.38 1.893 0 N-CA-C 104.512 -2.403 . . . . 99.99 104.512 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -143.81 162.18 36.71 Favored 'General case' 0 C--N 1.381 1.958 0 CA-C-O 124.372 2.034 . . . . 99.99 106.808 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 58.2 m -156.08 164.8 37.97 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 120.84 -1.162 . . . . 99.99 109.703 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -156.92 151.78 25.9 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-N 112.327 -2.215 . . . . 99.99 106.191 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 62.1 t -106.12 131.01 56.8 Favored 'Isoleucine or valine' 0 C--N 1.381 1.974 0 N-CA-C 106.056 -1.831 . . . . 99.99 106.056 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -126.84 -178.81 4.53 Favored 'General case' 0 C--N 1.377 1.794 0 CA-C-O 124.816 2.246 . . . . 99.99 107.559 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 10.8 t -148.23 173.19 13.25 Favored 'General case' 0 C--N 1.379 1.86 0 CA-C-N 112.356 -2.202 . . . . 99.99 107.826 -169.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 11.3 p -76.57 162.67 27.58 Favored 'General case' 0 C--N 1.379 1.888 0 N-CA-C 104.476 -2.416 . . . . 99.99 104.476 169.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -108.18 -24.25 11.61 Favored 'General case' 0 C--N 1.376 1.732 0 CA-C-N 112.132 -2.304 . . . . 99.99 112.728 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -120.31 162.33 19.63 Favored 'General case' 0 C--N 1.375 1.7 0 CA-C-O 123.443 1.592 . . . . 99.99 109.486 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ASP . . . . . 0.539 ' OD2' ' NZ ' ' A' ' 548' ' ' LYS . 67.8 m-20 -88.15 135.9 33.22 Favored 'General case' 0 C--N 1.393 2.475 0 N-CA-C 106.356 -1.72 . . . . 99.99 106.356 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 39.6 t30 69.22 25.43 5.69 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 114.378 -1.283 . . . . 99.99 110.23 -173.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -83.38 121.19 26.83 Favored 'General case' 0 C--N 1.384 2.084 0 N-CA-C 107.087 -1.449 . . . . 99.99 107.087 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 21.6 p -102.45 -0.3 32.62 Favored 'General case' 0 C--N 1.376 1.759 0 CA-C-N 113.009 -1.905 . . . . 99.99 114.384 -170.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -159.29 158.51 32.59 Favored 'General case' 0 C--N 1.375 1.691 0 CA-C-O 123.064 1.411 . . . . 99.99 111.774 -175.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.65 149.86 32.54 Favored 'Isoleucine or valine' 0 C--N 1.387 2.212 0 CA-C-O 124.295 1.998 . . . . 99.99 108.101 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.7 m -91.38 138.36 31.64 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 103.781 -2.674 . . . . 99.99 103.781 167.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.16 117.18 54.46 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 N-CA-C 103.479 -2.786 . . . . 99.99 103.479 168.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -111.47 121.41 45.13 Favored 'General case' 0 C--N 1.382 1.982 0 N-CA-C 105.057 -2.201 . . . . 99.99 105.057 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 46.4 t -99.36 115.42 40.07 Favored 'Isoleucine or valine' 0 C--N 1.382 1.991 0 CA-C-O 123.644 1.687 . . . . 99.99 106.544 -173.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 95.3 mt -107.47 138.55 43.47 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 112.431 -2.168 . . . . 99.99 108.932 -175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -112.76 127.24 56.09 Favored 'General case' 0 C--N 1.39 2.333 0 N-CA-C 104.646 -2.353 . . . . 99.99 104.646 160.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 162.38 -171.65 38.29 Favored Glycine 0 C--N 1.377 2.818 0 CA-C-N 113.676 -1.602 . . . . 99.99 111.83 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' GLU . . . . . 0.551 ' OE1' ' NZ ' ' A' ' 414' ' ' LYS . 44.2 mm-40 -135.8 7.73 3.25 Favored 'General case' 0 C--N 1.38 1.908 0 CA-C-N 112.734 -1.733 . . . . 99.99 112.468 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -93.35 153.74 18.36 Favored 'General case' 0 C--N 1.374 1.642 0 N-CA-C 105.518 -2.03 . . . . 99.99 105.518 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -70.33 -54.97 10.36 Favored 'General case' 0 C--N 1.383 2.027 0 N-CA-C 108.747 -0.834 . . . . 99.99 108.747 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -73.25 120.63 19.13 Favored 'General case' 0 C--N 1.382 1.98 0 N-CA-C 106.1 -1.815 . . . . 99.99 106.1 -169.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.44 70.24 Favored 'General case' 0 C--N 1.377 1.781 0 CA-C-O 122.663 1.22 . . . . 99.99 112.545 -166.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -69.19 -6.55 29.58 Favored 'General case' 0 C--N 1.379 1.874 0 CA-C-N 114.096 -1.411 . . . . 99.99 113.612 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.28 -6.91 25.21 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-O 121.822 0.82 . . . . 99.99 111.063 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -100.77 168.22 9.81 Favored 'General case' 0 C--N 1.383 2.039 0 CA-C-O 122.512 1.149 . . . . 99.99 109.711 -177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' LYS . . . . . 0.602 ' NZ ' ' OE2' ' A' ' 511' ' ' GLU . 15.8 tptt -90.5 121.23 32.27 Favored 'General case' 0 C--N 1.39 2.339 0 CA-C-O 123.261 1.505 . . . . 99.99 108.248 -174.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 12.6 t -74.27 102.14 4.24 Favored 'General case' 0 C--N 1.38 1.905 0 CA-C-N 112.516 -2.129 . . . . 99.99 109.075 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.3 mt -77.04 -36.59 55.99 Favored 'General case' 0 C--N 1.385 2.11 0 CA-C-O 122.531 1.158 . . . . 99.99 109.709 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 179.72 169.97 40.76 Favored Glycine 0 C--N 1.381 3.04 0 CA-C-N 113.4 -1.727 . . . . 99.99 109.327 -177.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -146.15 155.15 42.53 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-N 112.447 -1.877 . . . . 99.99 107.829 171.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -155.59 167.75 29.37 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 112.353 -2.203 . . . . 99.99 107.094 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -111.58 155.18 23.73 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 123.687 1.708 . . . . 99.99 109.208 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 56.3 tp -130.23 111.57 12.54 Favored 'General case' 0 C--N 1.38 1.933 0 N-CA-C 103.626 -2.731 . . . . 99.99 103.626 160.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' ASP . . . . . 0.665 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 9.5 p-10 -101.92 163.97 11.97 Favored 'General case' 0 C--N 1.382 1.991 0 CA-C-N 113.317 -1.765 . . . . 99.99 109.633 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 93.28 30.02 9.67 Favored Glycine 0 C--N 1.376 2.797 0 CA-C-N 112.906 -1.952 . . . . 99.99 113.399 161.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 73.4 mt -75.89 134.7 28.55 Favored 'Isoleucine or valine' 0 C--N 1.379 1.887 0 N-CA-C 105.097 -2.186 . . . . 99.99 105.097 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -68.68 159.09 83.56 Favored Pre-proline 0 C--N 1.387 2.224 0 CA-C-N 112.568 -2.106 . . . . 99.99 109.438 -173.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.23 73.15 2.12 Favored 'Trans proline' 0 C--N 1.385 2.494 0 CA-C-O 123.626 1.428 . . . . 99.99 111.354 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -99.17 161.02 26.12 Favored Pre-proline 0 C--N 1.38 1.906 0 CA-C-N 113.005 -1.907 . . . . 99.99 109.338 172.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -76.55 157.33 36.31 Favored 'Trans proline' 0 C--N 1.386 2.509 0 C-N-CA 121.052 1.168 . . . . 99.99 110.651 168.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -70.46 156.95 38.68 Favored 'General case' 0 C--N 1.382 2.012 0 CA-C-O 124.365 2.031 . . . . 99.99 114.084 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 95.96 -25.34 25.79 Favored Glycine 0 C--N 1.393 3.717 0 CA-C-N 111.795 -2.457 . . . . 99.99 110.636 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 90.8 mmm -92.64 -43.39 0.34 Allowed Pre-proline 0 C--N 1.385 2.135 0 N-CA-C 115.741 1.756 . . . . 99.99 115.741 -167.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.78 123.97 13.25 Favored 'Trans proline' 0 C--N 1.381 2.27 0 CA-C-N 122.119 1.792 . . . . 99.99 108.882 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -90.16 94.83 9.93 Favored 'General case' 0 C--N 1.38 1.908 0 CA-C-N 113.113 -1.858 . . . . 99.99 107.821 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 34.4 mm -100.85 112.31 33.28 Favored 'Isoleucine or valine' 0 C--N 1.387 2.21 0 CA-C-N 112.466 -2.152 . . . . 99.99 105.424 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.604 ' OE2' ' NZ ' ' A' ' 491' ' ' LYS . 23.9 tt0 -87.56 136.42 32.95 Favored 'General case' 0 C--N 1.383 2.032 0 N-CA-C 103.925 -2.62 . . . . 99.99 103.925 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 94.0 t -120.74 127.72 75.96 Favored 'Isoleucine or valine' 0 C--N 1.381 1.942 0 N-CA-C 103.886 -2.635 . . . . 99.99 103.886 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 8.9 m -124.26 135.06 53.12 Favored 'General case' 0 C--N 1.384 2.079 0 CA-C-N 112.67 -2.059 . . . . 99.99 106.391 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -117.21 128.3 54.96 Favored 'General case' 0 C--N 1.387 2.22 0 N-CA-C 104.047 -2.575 . . . . 99.99 104.047 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -130.9 123.55 29.19 Favored 'General case' 0 C--N 1.375 1.681 0 N-CA-C 104.539 -2.393 . . . . 99.99 104.539 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 6.8 mt -113.83 124.54 70.58 Favored 'Isoleucine or valine' 0 C--N 1.383 2.062 0 N-CA-C 103.471 -2.788 . . . . 99.99 103.471 172.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -86.34 -176.82 6.04 Favored 'General case' 0 C--N 1.387 2.202 0 CA-C-N 113.024 -1.898 . . . . 99.99 108.713 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.494 ' HB1' ' HA ' ' A' ' 388' ' ' ASP . . . -87.06 -2.26 58.5 Favored 'General case' 0 C--N 1.378 1.808 0 N-CA-C 114.0 1.111 . . . . 99.99 114.0 -170.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 481' ' ' ASP . . . . . 0.479 ' OD1' ' HA ' ' A' ' 386' ' ' VAL . 55.9 m-20 -98.88 0.93 45.17 Favored 'General case' 0 C--N 1.384 2.083 0 CA-C-O 123.107 1.432 . . . . 99.99 107.771 174.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 89.91 7.43 68.38 Favored Glycine 0 C--N 1.383 3.187 0 C-N-CA 125.026 1.298 . . . . 99.99 112.349 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 66.1 mt -80.78 135.34 25.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.928 0 N-CA-C 104.658 -2.349 . . . . 99.99 104.658 -173.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 40.7 tp -98.99 126.92 44.79 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 105.033 -2.21 . . . . 99.99 105.033 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -122.01 122.79 40.13 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 103.859 -2.645 . . . . 99.99 103.859 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.5 136.89 50.84 Favored 'Isoleucine or valine' 0 C--N 1.381 1.958 0 N-CA-C 103.226 -2.879 . . . . 99.99 103.226 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 3.4 p -136.79 140.52 42.58 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-N 112.862 -1.972 . . . . 99.99 106.154 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -130.56 142.47 50.46 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 112.843 -1.98 . . . . 99.99 105.872 174.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' LYS . . . . . 0.599 ' NZ ' ' OE1' ' A' ' 496' ' ' GLU . 9.0 ttmt -147.27 140.66 25.41 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-N 113.178 -1.828 . . . . 99.99 110.024 -173.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.1 127.34 35.13 Favored 'General case' 0 C--N 1.38 1.934 0 N-CA-C 106.073 -1.825 . . . . 99.99 106.073 167.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' LYS . . . . . 0.604 ' NZ ' ' OE2' ' A' ' 473' ' ' GLU . 74.7 mttt -79.42 -14.99 58.57 Favored 'General case' 0 C--N 1.386 2.179 0 N-CA-C 113.651 0.982 . . . . 99.99 113.651 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -51.41 11.11 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-O 121.15 0.5 . . . . 99.99 110.095 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 94.3 p -93.27 -28.19 16.38 Favored 'General case' 0 C--N 1.382 1.979 0 N-CA-C 113.312 0.856 . . . . 99.99 113.312 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 90.68 2.32 72.71 Favored Glycine 0 C--N 1.38 2.979 0 CA-C-N 115.797 -0.638 . . . . 99.99 114.63 -173.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.665 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 41.8 tttm -73.04 117.16 14.43 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-O 123.655 1.693 . . . . 99.99 109.091 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' GLU . . . . . 0.599 ' OE1' ' NZ ' ' A' ' 489' ' ' LYS . 20.3 tt0 -95.56 152.27 18.58 Favored 'General case' 0 C--N 1.391 2.384 0 CA-C-N 112.658 -2.065 . . . . 99.99 108.114 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -145.05 156.42 43.91 Favored 'General case' 0 C--N 1.387 2.2 0 CA-C-O 123.625 1.679 . . . . 99.99 108.112 158.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -134.79 164.63 27.12 Favored 'General case' 0 C--N 1.386 2.159 0 CA-C-N 113.552 -1.658 . . . . 99.99 110.984 -168.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 15.4 tt -150.38 145.02 17.22 Favored 'Isoleucine or valine' 0 C--N 1.391 2.409 0 CA-C-N 111.97 -2.377 . . . . 99.99 108.135 155.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.9 m -120.04 130.23 54.61 Favored 'General case' 0 C--N 1.385 2.148 0 N-CA-C 105.379 -2.082 . . . . 99.99 105.379 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 70.5 mt -129.74 140.53 48.79 Favored 'Isoleucine or valine' 0 C--N 1.379 1.878 0 N-CA-C 105.984 -1.858 . . . . 99.99 105.984 -169.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -83.24 157.32 22.72 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-O 123.132 1.444 . . . . 99.99 109.378 -166.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -63.03 -24.67 68.03 Favored 'General case' 0 C--N 1.385 2.15 0 CA-C-O 122.987 1.375 . . . . 99.99 111.751 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 22.5 p -95.46 14.33 23.0 Favored 'General case' 0 C--N 1.382 1.994 0 CA-C-N 113.387 -1.733 . . . . 99.99 113.813 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 54.3 m -92.05 151.49 20.43 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-O 123.135 1.445 . . . . 99.99 107.558 170.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 96.83 -152.19 20.05 Favored Glycine 0 C--N 1.384 3.196 0 CA-C-N 113.539 -1.664 . . . . 99.99 113.085 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 511' ' ' GLU . 83.8 mt -78.93 133.61 36.9 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 112.221 -1.99 . . . . 99.99 111.432 -171.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -81.89 174.61 11.14 Favored 'General case' 0 C--N 1.386 2.166 0 CA-C-O 122.928 1.347 . . . . 99.99 112.397 170.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.8 -45.38 14.76 Favored 'General case' 0 C--N 1.388 2.273 0 N-CA-C 114.358 1.244 . . . . 99.99 114.358 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.72 -31.08 36.2 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 122.723 1.249 . . . . 99.99 108.891 -172.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' GLU . . . . . 0.602 ' OE2' ' NZ ' ' A' ' 452' ' ' LYS . 46.1 mt-10 -68.85 -37.97 79.47 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 114.537 -1.21 . . . . 99.99 108.108 176.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.8 -46.4 94.51 Favored 'Isoleucine or valine' 0 C--N 1.385 2.131 0 CA-C-N 114.735 -1.12 . . . . 99.99 109.462 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -59.37 -47.0 87.1 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 119.632 -0.827 . . . . 99.99 110.018 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' LYS . . . . . 0.665 ' NZ ' ' OD2' ' A' ' 518' ' ' ASP . 61.6 tttm -54.71 -51.93 64.02 Favored 'General case' 0 C--N 1.394 2.539 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 35.0 tpp -53.84 -38.57 64.78 Favored 'General case' 0 C--N 1.378 1.828 0 O-C-N 123.735 0.647 . . . . 99.99 111.535 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' VAL . . . . . . . . . . . . . 50.9 t -64.13 -47.19 91.19 Favored 'Isoleucine or valine' 0 C--N 1.379 1.857 0 CA-C-O 121.986 0.898 . . . . 99.99 108.887 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -63.56 -43.62 96.49 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-O 123.609 1.671 . . . . 99.99 107.19 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ASP . . . . . 0.665 ' OD2' ' NZ ' ' A' ' 514' ' ' LYS . 0.5 OUTLIER -59.44 -53.0 63.16 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 113.465 -1.698 . . . . 99.99 109.173 -175.165 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -72.18 -30.67 65.2 Favored 'General case' 0 C--N 1.387 2.2 0 CA-C-N 113.89 -1.504 . . . . 99.99 113.507 -175.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -75.57 -35.32 60.64 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 120.239 -0.584 . . . . 99.99 110.313 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -78.44 -38.88 40.23 Favored 'General case' 0 C--N 1.384 2.095 0 CA-C-O 121.614 0.721 . . . . 99.99 112.623 -177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -91.1 13.7 16.17 Favored 'General case' 0 C--N 1.384 2.096 0 CA-C-O 121.977 0.894 . . . . 99.99 112.965 -173.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.64 -40.51 69.06 Favored 'General case' 0 C--N 1.378 1.805 0 CA-C-O 121.889 0.852 . . . . 99.99 111.274 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.44 -39.29 85.4 Favored 'General case' 0 C--N 1.382 1.993 0 CA-C-O 122.132 0.968 . . . . 99.99 110.502 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -75.82 -39.24 57.14 Favored 'General case' 0 C--N 1.384 2.073 0 CA-C-O 122.768 1.271 . . . . 99.99 108.953 -173.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.48 -43.09 73.91 Favored 'General case' 0 C--N 1.381 1.95 0 CA-C-N 114.079 -1.419 . . . . 99.99 108.508 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 5.9 ttp-105 -59.51 -39.66 84.58 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 118.019 -1.472 . . . . 99.99 110.381 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -63.61 -21.76 66.54 Favored 'General case' 0 C--N 1.389 2.311 0 CA-C-O 121.983 0.897 . . . . 99.99 112.424 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -85.5 -52.27 5.95 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 113.953 -1.476 . . . . 99.99 108.005 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -53.11 -38.36 62.55 Favored 'General case' 0 C--N 1.381 1.944 0 CA-C-O 122.609 1.195 . . . . 99.99 110.207 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.627 ' OE1' ' NZ ' ' A' ' 581' ' ' LYS . 3.5 pt-20 -73.67 -5.56 41.28 Favored 'General case' 0 C--N 1.388 2.271 0 N-CA-C 115.777 1.769 . . . . 99.99 115.777 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 33.9 tp -95.23 -41.61 8.97 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 124.899 1.28 . . . . 99.99 108.311 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 35.3 t -58.06 -42.35 82.71 Favored 'Isoleucine or valine' 0 C--N 1.382 1.979 0 CA-C-O 122.07 0.938 . . . . 99.99 108.601 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -59.8 -45.52 92.09 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-N 114.286 -1.325 . . . . 99.99 108.831 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' THR . . . . . . . . . . . . . 84.7 m -70.27 -43.57 70.2 Favored 'General case' 0 C--N 1.375 1.711 0 CA-C-N 115.766 -0.652 . . . . 99.99 109.57 -175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -55.05 -42.4 72.64 Favored 'General case' 0 C--N 1.384 2.093 0 CA-C-O 122.247 1.022 . . . . 99.99 111.012 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -72.07 -33.57 68.04 Favored 'General case' 0 C--N 1.385 2.128 0 CA-C-N 115.34 -0.845 . . . . 99.99 112.098 -175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -64.87 -41.17 95.87 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-O 122.891 1.329 . . . . 99.99 109.171 175.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -67.56 -38.01 90.11 Favored Glycine 0 C--N 1.386 3.34 0 CA-C-N 113.924 -1.489 . . . . 99.99 111.204 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.75 -46.74 88.28 Favored 'General case' 0 C--N 1.383 2.029 0 CA-C-O 121.85 0.833 . . . . 99.99 109.516 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -58.04 -49.0 78.4 Favored 'General case' 0 C--N 1.387 2.197 0 N-CA-C 108.441 -0.948 . . . . 99.99 108.441 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.45 -48.61 77.01 Favored 'General case' 0 C--N 1.383 2.051 0 CA-C-N 115.043 -0.98 . . . . 99.99 109.093 -175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 41.5 tp -54.26 -47.75 71.93 Favored 'General case' 0 C--N 1.38 1.919 0 CA-C-O 121.99 0.9 . . . . 99.99 110.439 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -70.04 -48.84 56.27 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-N 115.067 -0.97 . . . . 99.99 109.928 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 60.7 m -67.75 -41.5 83.27 Favored 'General case' 0 C--N 1.378 1.818 0 O-C-N 121.46 -0.775 . . . . 99.99 111.033 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' THR . . . . . . . . . . . . . 84.9 m -68.96 -27.38 65.68 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 119.025 -1.07 . . . . 99.99 110.731 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -60.63 -45.1 95.32 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 121.951 0.881 . . . . 99.99 109.329 173.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' LYS . . . . . 0.539 ' NZ ' ' OD2' ' A' ' 431' ' ' ASP . 93.7 mttt -76.68 -33.38 58.26 Favored 'General case' 0 C--N 1.384 2.1 0 C-N-CA 118.988 -1.085 . . . . 99.99 112.014 -177.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -61.94 -26.23 68.06 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 120.027 -0.669 . . . . 99.99 110.259 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.01 -53.61 22.87 Favored 'Isoleucine or valine' 0 C--N 1.39 2.326 0 N-CA-C 108.633 -0.877 . . . . 99.99 108.633 167.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -61.95 -29.29 70.13 Favored 'General case' 0 C--N 1.38 1.916 0 N-CA-C 114.171 1.175 . . . . 99.99 114.171 -174.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -72.41 -32.86 66.7 Favored 'General case' 0 C--N 1.379 1.888 0 CA-C-O 123.436 1.589 . . . . 99.99 112.135 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -74.91 -58.19 3.44 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 114.965 -1.016 . . . . 99.99 110.099 -174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 64.9 -132.8 37.12 Favored Glycine 0 C--N 1.378 2.869 0 CA-C-O 123.206 1.448 . . . . 99.99 111.92 -177.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 555' ' ' ASP . 0.5 OUTLIER -66.43 -0.61 2.81 Favored 'General case' 0 C--N 1.382 2.01 0 C-N-CA 126.197 1.799 . . . . 99.99 115.356 -174.704 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -78.37 -25.45 46.28 Favored 'General case' 0 C--N 1.377 1.788 0 CA-C-N 114.975 -1.011 . . . . 99.99 109.886 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 26.3 tp -97.33 118.17 64.78 Favored Pre-proline 0 C--N 1.386 2.182 0 CA-C-N 113.951 -1.477 . . . . 99.99 107.617 -171.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.56 166.74 11.04 Favored 'Trans proline' 0 C--N 1.385 2.448 0 CA-C-O 124.791 1.913 . . . . 99.99 114.931 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.07 -41.02 82.57 Favored 'General case' 0 C--N 1.393 2.463 0 CA-C-N 112.398 -2.183 . . . . 99.99 111.172 -169.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 560' ' ' ASP . 1.6 m-20 -63.01 -45.63 91.45 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 108.457 -0.942 . . . . 99.99 108.457 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.25 -50.51 72.74 Favored 'General case' 0 C--N 1.382 1.995 0 N-CA-C 107.832 -1.173 . . . . 99.99 107.832 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.47 -45.61 80.82 Favored 'General case' 0 C--N 1.386 2.189 0 N-CA-C 107.989 -1.115 . . . . 99.99 107.989 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 84.9 m -63.34 -47.09 83.61 Favored 'General case' 0 C--N 1.377 1.797 0 CA-C-O 122.502 1.144 . . . . 99.99 110.889 -176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -70.15 -44.38 68.98 Favored 'General case' 0 C--N 1.381 1.974 0 CA-C-O 121.974 0.892 . . . . 99.99 111.409 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.66 -46.45 85.89 Favored 'Isoleucine or valine' 0 C--N 1.382 2.013 0 N-CA-C 107.983 -1.117 . . . . 99.99 107.983 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -64.69 -27.75 69.13 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-N 115.589 -0.732 . . . . 99.99 110.547 -175.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 74.8 m -67.42 -45.1 77.07 Favored 'General case' 0 C--N 1.382 2.0 0 CA-C-O 123.177 1.465 . . . . 99.99 108.549 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.34 69.14 Favored 'General case' 0 C--N 1.383 2.052 0 CA-C-N 114.644 -1.162 . . . . 99.99 110.42 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' LEU . . . . . . . . . . . . . 17.8 mt -57.13 -43.29 82.26 Favored 'General case' 0 C--N 1.386 2.175 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.667 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 56.5 m -61.94 -46.22 90.27 Favored 'General case' 0 C--N 1.388 2.241 0 CA-C-O 121.968 0.889 . . . . 99.99 109.434 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.35 -36.48 84.13 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 114.692 -1.14 . . . . 99.99 111.866 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.3 -37.18 86.6 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 108.166 -1.05 . . . . 99.99 108.166 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' GLU . . . . . 0.585 ' OE1' ' NZ ' ' A' ' 577' ' ' LYS . 0.2 OUTLIER -70.88 -17.66 62.71 Favored 'General case' 0 C--N 1.382 2.004 0 CA-C-N 115.279 -0.873 . . . . 99.99 112.398 -179.439 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 59.5 m -85.12 -50.06 7.73 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-O 122.247 1.022 . . . . 99.99 108.665 170.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -58.36 -35.88 72.62 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-O 122.143 0.973 . . . . 99.99 111.386 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 36.0 mt -70.92 0.06 8.16 Favored 'General case' 0 C--N 1.384 2.107 0 N-CA-C 115.253 1.575 . . . . 99.99 115.253 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' LYS . . . . . 0.585 ' NZ ' ' OE1' ' A' ' 573' ' ' GLU . 19.2 mttm -101.08 6.8 43.46 Favored 'General case' 0 C--N 1.382 2.017 0 CA-C-O 121.744 0.783 . . . . 99.99 109.922 168.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -98.85 166.21 21.34 Favored Glycine 0 C--N 1.38 3.02 0 CA-C-O 123.96 1.867 . . . . 99.99 109.132 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -99.01 7.41 46.02 Favored 'General case' 0 C--N 1.384 2.105 0 CA-C-O 122.531 1.158 . . . . 99.99 108.316 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -86.23 115.32 23.71 Favored 'General case' 0 C--N 1.379 1.871 0 CA-C-N 114.557 -1.201 . . . . 99.99 107.759 -172.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.627 ' NZ ' ' OE1' ' A' ' 531' ' ' GLU . 60.8 tttt -68.46 -41.53 80.06 Favored 'General case' 0 C--N 1.385 2.134 0 CA-C-N 114.202 -1.363 . . . . 99.99 110.666 177.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -73.1 -38.0 66.52 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 107.338 -1.356 . . . . 99.99 107.338 -163.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.44 88.88 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 114.385 -1.28 . . . . 99.99 110.028 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' ILE . . . . . . . . . . . . . 74.2 mt -70.38 -48.06 62.52 Favored 'Isoleucine or valine' 0 C--N 1.381 1.978 0 N-CA-C 108.067 -1.086 . . . . 99.99 108.067 -177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.36 -42.25 86.53 Favored 'General case' 0 C--N 1.384 2.1 0 CA-C-O 122.035 0.921 . . . . 99.99 109.872 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.25 76.87 Favored 'General case' 0 C--N 1.386 2.167 0 CA-C-N 115.595 -0.73 . . . . 99.99 111.635 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' LYS . . . . . 0.611 ' NZ ' ' OE1' ' A' ' 590' ' ' GLU . 71.0 mmtt -68.16 -27.6 66.56 Favored 'General case' 0 C--N 1.386 2.156 0 O-C-N 120.948 -1.095 . . . . 99.99 113.032 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 83.8 mtp -64.28 -40.15 95.37 Favored 'General case' 0 C--N 1.38 1.916 0 CA-C-O 121.757 0.789 . . . . 99.99 109.452 172.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -68.5 -47.29 67.39 Favored 'General case' 0 C--N 1.385 2.111 0 N-CA-C 108.907 -0.775 . . . . 99.99 108.907 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.611 ' OE1' ' NZ ' ' A' ' 587' ' ' LYS . 32.7 tt0 -56.43 -35.56 67.99 Favored 'General case' 0 C--N 1.388 2.241 0 CA-C-O 121.352 0.596 . . . . 99.99 109.88 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' LEU . . . . . . . . . . . . . 56.9 tp -73.71 -55.96 5.6 Favored 'General case' 0 C--N 1.387 2.212 0 CA-C-N 116.105 -0.498 . . . . 99.99 111.337 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -58.39 -35.31 71.81 Favored 'General case' 0 C--N 1.378 1.821 0 O-C-N 121.329 -0.857 . . . . 99.99 112.436 -172.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.35 -32.13 68.24 Favored 'General case' 0 C--N 1.387 2.224 0 CA-C-N 115.418 -0.81 . . . . 99.99 111.685 -177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' VAL . . . . . . . . . . . . . 33.2 m -96.11 6.46 7.94 Favored 'Isoleucine or valine' 0 C--N 1.383 2.044 0 N-CA-C 112.626 0.602 . . . . 99.99 112.626 -175.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 37.9 m -111.84 26.66 10.4 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-O 121.933 0.873 . . . . 99.99 112.162 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -64.5 -48.49 74.99 Favored 'General case' 0 C--N 1.387 2.21 0 CA-C-N 114.672 -1.149 . . . . 99.99 108.437 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.631 ' NZ ' ' OE1' ' A' ' 600' ' ' GLU . 51.6 tptt -76.38 -29.36 57.12 Favored 'General case' 0 C--N 1.385 2.12 0 CA-C-O 121.908 0.861 . . . . 99.99 110.259 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -46.4 75.01 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 106.294 -1.743 . . . . 99.99 106.294 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 12.5 mmt -62.28 -34.82 77.31 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 115.52 -0.764 . . . . 99.99 110.819 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.631 ' OE1' ' NZ ' ' A' ' 597' ' ' LYS . 15.4 tt0 -59.63 -34.06 72.32 Favored 'General case' 0 C--N 1.378 1.84 0 CA-C-O 121.572 0.701 . . . . 99.99 110.249 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ILE . . . . . . . . . . . . . 67.4 mt -79.66 -43.26 23.12 Favored 'Isoleucine or valine' 0 C--N 1.385 2.147 0 N-CA-C 108.157 -1.053 . . . . 99.99 108.157 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.87 69.85 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 121.938 0.875 . . . . 99.99 112.115 177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.381 1.962 0 N-CA-C 105.953 -1.869 . . . . 99.99 105.953 169.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.642 ' N ' ' OE1' ' A' ' 137' ' ' GLU . 18.9 mt . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 110.44 -0.207 . . . . 99.99 110.44 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.7 pt -104.49 156.18 5.87 Favored 'Isoleucine or valine' 0 C--N 1.387 2.215 0 CA-C-O 122.419 1.104 . . . . 99.99 110.034 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.05 109.54 3.68 Favored Glycine 0 C--N 1.387 3.364 0 N-CA-C 109.585 -1.406 . . . . 99.99 109.585 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.1 mt -104.08 130.24 55.04 Favored 'Isoleucine or valine' 0 C--N 1.383 2.032 0 N-CA-C 106.3 -1.741 . . . . 99.99 106.3 175.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' OD2' HG13 ' A' ' 371' ' ' VAL . 48.3 t0 -100.43 114.65 28.38 Favored 'General case' 0 C--N 1.388 2.241 0 N-CA-C 105.673 -1.973 . . . . 99.99 105.673 165.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.7 tp -100.26 112.3 24.62 Favored 'General case' 0 C--N 1.38 1.923 0 N-CA-C 103.875 -2.639 . . . . 99.99 103.875 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.82 -172.1 30.32 Favored Glycine 0 C--N 1.378 2.867 0 CA-C-O 124.473 2.152 . . . . 99.99 113.16 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m -81.66 -54.7 5.18 Favored 'General case' 0 C--N 1.396 2.612 0 CA-C-N 112.509 -1.845 . . . . 99.99 108.913 170.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -101.49 -32.15 10.55 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-O 121.283 0.563 . . . . 99.99 111.786 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -140.86 142.0 34.59 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 121.618 0.723 . . . . 99.99 109.387 -162.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.6 m -122.88 143.97 49.52 Favored 'General case' 0 C--N 1.381 1.958 0 CA-C-O 122.357 1.075 . . . . 99.99 111.198 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.4 t -149.8 146.28 27.07 Favored 'General case' 0 C--N 1.383 2.05 0 CA-C-N 113.851 -1.522 . . . . 99.99 106.935 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -131.23 145.01 36.01 Favored 'Isoleucine or valine' 0 C--N 1.385 2.114 0 CA-C-N 113.246 -1.797 . . . . 99.99 108.885 -173.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.77 165.73 32.62 Favored 'General case' 0 C--N 1.39 2.347 0 CA-C-O 123.735 1.731 . . . . 99.99 113.088 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 pt -143.3 163.18 16.47 Favored 'Isoleucine or valine' 0 C--N 1.394 2.527 0 CA-C-N 112.323 -2.217 . . . . 99.99 109.596 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 76.8 mtp -96.43 120.7 37.22 Favored 'General case' 0 C--N 1.39 2.327 0 N-CA-C 106.046 -1.835 . . . . 99.99 106.046 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.568 ' OD2' ' NE ' ' A' ' 25' ' ' ARG . 49.2 t0 -95.91 86.68 4.4 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 102.753 -3.054 . . . . 99.99 102.753 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.26 -107.22 2.59 Favored Glycine 0 C--N 1.389 3.511 0 N-CA-C 106.569 -2.612 . . . . 99.99 106.569 -173.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.4 t -102.07 -10.45 19.69 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-N 112.971 -1.614 . . . . 99.99 111.636 170.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -95.29 133.55 25.85 Favored Pre-proline 0 C--N 1.377 1.795 0 N-CA-C 108.481 -0.933 . . . . 99.99 108.481 -166.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -68.93 136.54 35.48 Favored 'Trans proline' 0 C--N 1.378 2.119 0 CA-C-O 122.712 1.047 . . . . 99.99 110.66 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.568 ' NE ' ' OD2' ' A' ' 20' ' ' ASP . 52.1 ttm-85 -132.68 129.57 38.96 Favored 'General case' 0 C--N 1.381 1.953 0 CA-C-O 123.841 1.781 . . . . 99.99 107.503 173.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.53 128.85 66.55 Favored 'Isoleucine or valine' 0 C--N 1.385 2.125 0 N-CA-C 105.343 -2.095 . . . . 99.99 105.343 -177.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.8 mt -95.34 170.08 9.62 Favored 'General case' 0 C--N 1.378 1.828 0 CA-C-N 112.749 -2.023 . . . . 99.99 109.707 -165.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -136.42 138.77 41.86 Favored 'General case' 0 C--N 1.383 2.034 0 CA-C-N 113.326 -1.761 . . . . 99.99 107.685 -172.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -74.8 170.41 15.94 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 123.572 1.653 . . . . 99.99 109.748 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.56 -27.24 69.04 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-N 114.392 -1.276 . . . . 99.99 112.395 -173.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.617 ' OE2' ' NZ ' ' A' ' 122' ' ' LYS . 6.5 mp0 -75.95 -10.23 59.26 Favored 'General case' 0 C--N 1.374 1.656 0 CA-C-N 114.455 -1.248 . . . . 99.99 113.603 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.21 14.5 58.83 Favored Glycine 0 C--N 1.374 2.678 0 N-CA-C 115.718 1.047 . . . . 99.99 115.718 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.93 147.74 23.66 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 107.198 -1.408 . . . . 99.99 107.198 176.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.7 mtt-85 -96.24 -62.12 1.33 Allowed 'General case' 0 C--N 1.38 1.904 0 CA-C-O 123.135 1.445 . . . . 99.99 108.59 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.0 m -93.04 108.92 20.39 Favored 'General case' 0 C--N 1.381 1.946 0 N-CA-C 102.141 -3.281 . . . . 99.99 102.141 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.9 m -100.05 143.61 26.83 Favored Pre-proline 0 C--N 1.381 1.944 0 N-CA-C 106.312 -1.736 . . . . 99.99 106.312 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -68.7 135.76 34.0 Favored 'Trans proline' 0 C--N 1.383 2.357 0 C-N-CA 120.741 0.961 . . . . 99.99 111.348 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -82.89 58.59 4.42 Favored 'General case' 0 C--N 1.386 2.165 0 CA-C-N 114.965 -1.016 . . . . 99.99 109.026 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.9 mt -122.69 136.15 60.45 Favored 'Isoleucine or valine' 0 C--N 1.387 2.214 0 N-CA-C 105.68 -1.97 . . . . 99.99 105.68 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.9 mt -130.61 133.62 63.26 Favored 'Isoleucine or valine' 0 C--N 1.383 2.034 0 N-CA-C 104.199 -2.519 . . . . 99.99 104.199 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -139.79 130.44 25.79 Favored 'General case' 0 C--N 1.379 1.872 0 CA-C-O 122.872 1.32 . . . . 99.99 108.107 -176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -99.24 107.86 20.28 Favored 'General case' 0 C--N 1.383 2.042 0 N-CA-C 103.644 -2.725 . . . . 99.99 103.644 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.0 m -74.01 147.92 42.49 Favored 'General case' 0 C--N 1.377 1.803 0 N-CA-C 106.44 -1.689 . . . . 99.99 106.44 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' NZ ' ' A' ' 106' ' ' LYS . 3.8 pm0 -58.38 -33.78 69.97 Favored 'General case' 0 C--N 1.387 2.217 0 CA-C-N 115.096 -0.956 . . . . 99.99 113.093 -161.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.44 ' OD2' ' NE2' ' A' ' 44' ' ' GLN . 27.5 m-20 -95.14 31.32 1.94 Allowed 'General case' 0 C--N 1.377 1.786 0 O-C-N 124.957 1.41 . . . . 99.99 111.342 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.82 -13.67 56.24 Favored Glycine 0 C--N 1.383 3.148 0 N-CA-C 117.392 1.717 . . . . 99.99 117.392 156.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -72.14 133.44 45.17 Favored 'General case' 0 C--N 1.377 1.778 0 CA-C-O 122.395 1.093 . . . . 99.99 108.498 -174.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 m -100.94 108.61 20.39 Favored 'General case' 0 C--N 1.381 1.96 0 N-CA-C 106.097 -1.816 . . . . 99.99 106.097 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.1 mt -110.63 152.97 25.84 Favored 'General case' 0 C--N 1.38 1.894 0 CA-C-O 123.823 1.773 . . . . 99.99 108.553 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.7 t -136.51 142.5 38.11 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 CA-C-N 112.465 -2.152 . . . . 99.99 105.592 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.69 -137.33 14.21 Favored Glycine 0 C--N 1.378 2.863 0 CA-C-O 124.381 2.101 . . . . 99.99 113.984 167.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -57.35 -47.26 99.32 Favored Pre-proline 0 C--N 1.385 2.113 0 CA-C-N 113.218 -1.491 . . . . 99.99 111.066 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.5 -1.4 9.7 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-N 121.436 1.549 . . . . 99.99 114.784 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.46 -35.39 13.67 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 115.93 -0.577 . . . . 99.99 111.46 166.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.656 ' NZ ' ' OE2' ' A' ' 264' ' ' GLU . 15.2 ttpp -70.07 -47.21 62.89 Favored 'General case' 0 C--N 1.392 2.452 0 CA-C-O 121.789 0.804 . . . . 99.99 109.26 172.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -60.25 -14.03 15.69 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 115.998 1.851 . . . . 99.99 115.998 -168.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -118.16 12.07 13.43 Favored 'General case' 0 C--N 1.375 1.704 0 CA-C-N 115.789 -0.641 . . . . 99.99 112.136 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.55 -19.98 65.91 Favored 'General case' 0 C--N 1.384 2.07 0 N-CA-C 114.641 1.348 . . . . 99.99 114.641 -165.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 79.2 t -78.38 -22.97 13.34 Favored 'Isoleucine or valine' 0 C--N 1.377 1.782 0 CA-C-N 114.853 -1.067 . . . . 99.99 109.607 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.3 p -85.98 -26.21 25.59 Favored 'General case' 0 C--N 1.381 1.942 0 N-CA-C 113.429 0.9 . . . . 99.99 113.429 -167.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -151.22 58.49 2.85 Favored Pre-proline 0 C--N 1.383 2.031 0 CA-C-O 121.674 0.75 . . . . 99.99 110.728 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -66.11 -29.38 48.05 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 121.135 1.223 . . . . 99.99 114.124 -167.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -66.44 -19.32 65.76 Favored 'General case' 0 C--N 1.384 2.092 0 CA-C-O 121.457 0.646 . . . . 99.99 110.507 -173.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -123.03 28.44 7.19 Favored 'General case' 0 C--N 1.383 2.046 0 CA-C-N 114.412 -1.267 . . . . 99.99 109.78 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.0 m -112.62 127.15 56.02 Favored 'General case' 0 C--N 1.389 2.298 0 N-CA-C 104.802 -2.295 . . . . 99.99 104.802 173.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.0 mt -115.04 119.55 36.84 Favored 'General case' 0 C--N 1.373 1.629 0 N-CA-C 105.206 -2.146 . . . . 99.99 105.206 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -141.46 153.43 44.96 Favored 'General case' 0 C--N 1.383 2.023 0 CA-C-N 113.049 -1.887 . . . . 99.99 107.833 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 68.89 34.39 3.25 Favored 'General case' 0 C--N 1.386 2.191 0 CA-C-N 112.985 -1.916 . . . . 99.99 113.996 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.96 -14.44 18.26 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 O-C-N 121.265 -0.897 . . . . 99.99 113.049 -170.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.666 ' NZ ' ' OE2' ' A' ' 171' ' ' GLU . 24.8 ttmt -62.62 -21.27 65.53 Favored 'General case' 0 C--N 1.389 2.284 0 O-C-N 121.55 -0.719 . . . . 99.99 110.621 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -73.29 -26.23 60.99 Favored 'General case' 0 C--N 1.383 2.063 0 CA-C-O 121.501 0.667 . . . . 99.99 111.611 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.9 mt -108.1 -18.43 13.78 Favored 'General case' 0 C--N 1.382 2.021 0 CA-C-N 115.463 -0.789 . . . . 99.99 113.122 -169.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 tp -44.23 -35.84 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.38 1.892 0 C-N-CA 126.609 1.964 . . . . 99.99 116.116 -152.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -154.61 46.52 0.54 Allowed Glycine 0 C--N 1.374 2.661 0 CA-C-N 113.625 -1.625 . . . . 99.99 110.994 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -112.87 168.64 9.52 Favored 'General case' 0 C--N 1.384 2.091 0 N-CA-C 106.258 -1.756 . . . . 99.99 106.258 171.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -115.61 159.51 21.2 Favored 'General case' 0 C--N 1.383 2.025 0 N-CA-C 106.767 -1.568 . . . . 99.99 106.767 -168.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -55.33 -40.2 70.92 Favored 'General case' 0 C--N 1.378 1.837 0 CA-C-O 122.145 0.974 . . . . 99.99 113.354 -166.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -97.99 101.72 13.28 Favored 'General case' 0 C--N 1.388 2.244 0 N-CA-C 106.75 -1.574 . . . . 99.99 106.75 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.07 162.18 31.53 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 103.16 -2.904 . . . . 99.99 103.16 -177.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -81.08 -18.69 45.7 Favored 'General case' 0 C--N 1.381 1.973 0 N-CA-C 112.958 0.725 . . . . 99.99 112.958 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.535 ' OE1' ' NE ' ' A' ' 84' ' ' ARG . 32.4 tp10 -90.27 -48.04 7.4 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 105.449 -2.056 . . . . 99.99 105.449 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.81 -41.06 91.08 Favored 'Isoleucine or valine' 0 C--N 1.382 1.997 0 C-N-CA 118.944 -1.103 . . . . 99.99 108.765 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -65.38 -31.65 72.88 Favored 'General case' 0 C--N 1.39 2.339 0 C-N-CA 118.458 -1.297 . . . . 99.99 112.681 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.535 ' NE ' ' OE1' ' A' ' 81' ' ' GLU 0.289 10.5 ptt180 -79.25 -41.12 28.91 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 109.612 -0.514 . . . . 99.99 109.612 177.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.05 -42.24 80.18 Favored 'General case' 0 C--N 1.377 1.764 0 CA-C-O 122.056 0.932 . . . . 99.99 110.94 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.6 t -60.79 -22.9 27.58 Favored 'Isoleucine or valine' 0 C--N 1.381 1.962 0 O-C-N 121.197 -0.94 . . . . 99.99 111.373 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.7 p -85.89 -26.47 25.59 Favored 'General case' 0 C--N 1.381 1.94 0 CA-C-N 115.219 -0.901 . . . . 99.99 113.16 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.4 pt -113.67 -31.71 2.07 Favored 'Isoleucine or valine' 0 C--N 1.384 2.107 0 N-CA-C 114.643 1.349 . . . . 99.99 114.643 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 26.6 mmt -77.68 138.78 62.45 Favored Pre-proline 0 C--N 1.383 2.057 0 CA-C-O 122.691 1.234 . . . . 99.99 109.448 -168.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -76.56 -25.82 9.12 Favored 'Trans proline' 0 C--N 1.388 2.617 0 N-CA-C 114.581 0.954 . . . . 99.99 114.581 -174.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -83.1 149.28 27.0 Favored 'General case' 0 C--N 1.377 1.799 0 CA-C-O 123.639 1.685 . . . . 99.99 108.016 -175.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -77.4 95.4 4.42 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-O 124.635 2.16 . . . . 99.99 110.123 -171.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.58 144.3 11.36 Favored 'Isoleucine or valine' 0 C--N 1.39 2.343 0 CA-C-N 111.547 -2.57 . . . . 99.99 106.899 169.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.0 pt -139.65 166.32 21.15 Favored 'Isoleucine or valine' 0 C--N 1.386 2.191 0 CA-C-O 124.002 1.858 . . . . 99.99 110.622 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.29 134.06 34.53 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-N 112.65 -2.068 . . . . 99.99 106.327 168.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB2' ' CG ' ' A' ' 102' ' ' TRP . . . -78.13 161.82 27.1 Favored 'General case' 0 C--N 1.373 1.609 0 CA-C-O 124.429 2.062 . . . . 99.99 110.824 171.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.617 ' OD1' ' NZ ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -58.86 -13.7 6.97 Favored 'General case' 0 C--N 1.376 1.747 0 CA-C-N 111.984 -2.371 . . . . 99.99 114.142 175.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -106.99 2.5 25.2 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-O 122.708 1.242 . . . . 99.99 113.383 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.87 2.14 78.85 Favored Glycine 0 C--N 1.379 2.918 0 O-C-N 120.565 -1.334 . . . . 99.99 115.36 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.04 158.87 27.25 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-O 123.174 1.464 . . . . 99.99 107.736 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.46 114.69 27.29 Favored 'General case' 0 C--N 1.385 2.13 0 N-CA-C 106.642 -1.614 . . . . 99.99 106.642 172.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 1.003 ' CZ3' ' CZ2' ' A' ' 102' ' ' TRP . 14.9 m0 -127.52 173.11 10.12 Favored 'General case' 0 C--N 1.383 2.052 0 CA-C-N 113.581 -1.645 . . . . 99.99 107.504 -172.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.6 m -117.98 152.15 20.0 Favored 'Isoleucine or valine' 0 C--N 1.384 2.083 0 CA-C-O 122.484 1.135 . . . . 99.99 108.459 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -115.54 124.13 50.24 Favored 'General case' 0 C--N 1.382 2.018 0 N-CA-C 104.353 -2.462 . . . . 99.99 104.353 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.2 t -134.17 125.42 47.99 Favored 'Isoleucine or valine' 0 C--N 1.386 2.184 0 N-CA-C 106.56 -1.645 . . . . 99.99 106.56 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 44' ' ' GLN . 20.7 mtpp 50.89 22.86 1.26 Allowed 'General case' 0 C--N 1.383 2.051 0 N-CA-C 114.667 1.358 . . . . 99.99 114.667 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.33 -11.37 59.98 Favored Glycine 0 C--N 1.386 3.312 0 N-CA-C 116.609 1.403 . . . . 99.99 116.609 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -101.58 140.15 36.26 Favored 'General case' 0 C--N 1.383 2.028 0 CA-C-O 122.378 1.085 . . . . 99.99 110.433 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.617 ' NZ ' ' OD1' ' A' ' 97' ' ' ASP . 46.1 mtmt -87.86 132.25 34.26 Favored 'General case' 0 C--N 1.39 2.328 0 CA-C-N 113.479 -1.692 . . . . 99.99 108.378 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 71.4 mtm -140.11 152.04 45.81 Favored 'General case' 0 C--N 1.387 2.222 0 CA-C-O 123.273 1.511 . . . . 99.99 112.098 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.28 126.79 38.51 Favored Pre-proline 0 C--N 1.391 2.381 0 CA-C-N 112.222 -2.263 . . . . 99.99 106.155 -174.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -59.54 -21.23 61.1 Favored 'Trans proline' 0 C--N 1.377 2.05 0 N-CA-C 119.439 2.823 . . . . 99.99 119.439 -166.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -56.82 -31.5 88.81 Favored 'Trans proline' 0 C--N 1.377 2.063 0 CA-C-N 121.429 1.546 . . . . 99.99 112.453 166.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -67.15 -40.48 86.68 Favored 'General case' 0 C--N 1.384 2.088 0 N-CA-C 107.842 -1.17 . . . . 99.99 107.842 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.7 mm -70.69 -55.32 14.68 Favored 'Isoleucine or valine' 0 C--N 1.383 2.049 0 N-CA-C 106.49 -1.67 . . . . 99.99 106.49 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.1 m -59.24 -23.41 62.31 Favored 'General case' 0 C--N 1.383 2.06 0 CA-C-O 121.658 0.742 . . . . 99.99 111.693 -175.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.67 -26.27 63.66 Favored 'General case' 0 C--N 1.379 1.851 0 N-CA-C 113.04 0.756 . . . . 99.99 113.04 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -73.02 -19.12 61.26 Favored 'General case' 0 C--N 1.386 2.174 0 CA-C-O 122.163 0.982 . . . . 99.99 111.123 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.6 -48.1 42.1 Favored 'Isoleucine or valine' 0 C--N 1.385 2.13 0 N-CA-C 105.284 -2.117 . . . . 99.99 105.284 171.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.44 -39.65 89.0 Favored 'General case' 0 C--N 1.382 2.002 0 CA-C-N 114.847 -1.07 . . . . 99.99 109.741 -173.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -61.33 -39.55 90.96 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-O 122.009 0.909 . . . . 99.99 110.386 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.617 ' NZ ' ' OE2' ' A' ' 31' ' ' GLU . 51.2 tttp -68.35 -42.97 78.47 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 119.519 -0.872 . . . . 99.99 109.648 175.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 36.9 mmt -63.34 -40.45 97.33 Favored 'General case' 0 C--N 1.388 2.258 0 CA-C-O 122.451 1.12 . . . . 99.99 110.213 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.617 ' NZ ' ' OE2' ' A' ' 128' ' ' GLU . 52.6 tttm -61.22 -49.95 75.08 Favored 'General case' 0 C--N 1.377 1.801 0 CA-C-N 114.664 -1.153 . . . . 99.99 108.855 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.634 ' NZ ' ' OD1' ' A' ' 129' ' ' ASP . 28.0 tptp -56.51 -46.49 80.51 Favored 'General case' 0 C--N 1.385 2.131 0 CA-C-N 115.1 -0.955 . . . . 99.99 109.847 176.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.1 m -57.83 -42.92 85.37 Favored 'General case' 0 C--N 1.382 1.992 0 CA-C-O 121.925 0.869 . . . . 99.99 110.654 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.23 72.26 Favored 'General case' 0 C--N 1.383 2.05 0 CA-C-O 121.612 0.72 . . . . 99.99 111.213 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.617 ' OE2' ' NZ ' ' A' ' 124' ' ' LYS . 89.8 mt-10 -59.36 -40.56 86.85 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-O 122.709 1.243 . . . . 99.99 109.745 -176.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.634 ' OD1' ' NZ ' ' A' ' 125' ' ' LYS . 85.9 m-20 -62.57 -28.46 69.89 Favored 'General case' 0 C--N 1.384 2.083 0 CA-C-N 114.501 -1.227 . . . . 99.99 112.688 -176.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -82.74 -43.43 16.8 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-O 122.121 0.963 . . . . 99.99 109.953 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.98 -37.06 58.96 Favored 'General case' 0 C--N 1.382 2.008 0 CA-C-N 115.184 -0.917 . . . . 99.99 110.977 -173.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.27 -24.92 16.64 Favored Glycine 0 C--N 1.376 2.785 0 CA-C-N 115.325 -0.852 . . . . 99.99 114.19 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -94.21 152.97 40.67 Favored Pre-proline 0 C--N 1.376 1.725 0 N-CA-C 107.616 -1.253 . . . . 99.99 107.616 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.03 133.71 18.53 Favored 'Trans proline' 0 C--N 1.381 2.238 0 CA-C-O 124.238 1.682 . . . . 99.99 110.43 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.532 ' O ' ' NZ ' ' A' ' 124' ' ' LYS . 49.2 t -95.18 148.89 4.76 Favored 'Isoleucine or valine' 0 C--N 1.378 1.805 0 N-CA-C 102.428 -3.175 . . . . 99.99 102.428 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.21 11.16 3.55 Favored 'General case' 0 C--N 1.374 1.631 0 CA-C-O 123.01 1.386 . . . . 99.99 112.925 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.642 ' OE1' ' N ' ' A' ' 4' ' ' ILE . 53.7 mt-10 -145.0 150.38 36.81 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 123.839 0.856 . . . . 99.99 109.495 -164.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -142.88 160.59 40.05 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-O 124.002 1.858 . . . . 99.99 113.498 171.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 30.2 t -119.88 145.11 26.63 Favored 'Isoleucine or valine' 0 C--N 1.386 2.184 0 N-CA-C 104.119 -2.549 . . . . 99.99 104.119 150.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.7 mt -138.1 146.25 27.33 Favored 'Isoleucine or valine' 0 C--N 1.387 2.225 0 CA-C-N 113.098 -1.864 . . . . 99.99 107.167 -172.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . 0.412 ' OG1' ' OD1' ' A' ' 8' ' ' ASP . 33.8 p -88.38 152.14 22.11 Favored 'General case' 0 C--N 1.379 1.857 0 CA-C-N 113.092 -1.867 . . . . 99.99 112.318 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.0 m -149.87 161.76 30.28 Favored Pre-proline 0 C--N 1.392 2.445 0 CA-C-N 114.202 -1.363 . . . . 99.99 110.081 166.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -63.96 170.58 8.67 Favored 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-O 124.666 1.861 . . . . 99.99 111.943 167.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.6 -23.65 42.54 Favored 'General case' 0 C--N 1.392 2.444 0 CA-C-N 114.062 -1.426 . . . . 99.99 114.177 -175.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -97.87 14.37 27.36 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 114.486 1.291 . . . . 99.99 114.486 -171.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -82.19 139.67 34.16 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-O 122.89 1.329 . . . . 99.99 108.356 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -91.32 -177.96 5.0 Favored 'General case' 0 C--N 1.386 2.183 0 CA-C-N 113.51 -1.677 . . . . 99.99 109.602 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.87 -34.65 76.37 Favored 'General case' 0 C--N 1.38 1.925 0 CA-C-N 114.489 -1.232 . . . . 99.99 112.311 -174.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -69.61 -39.92 76.92 Favored 'General case' 0 C--N 1.38 1.921 0 N-CA-C 107.79 -1.189 . . . . 99.99 107.79 -176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -73.71 -36.09 65.2 Favored 'General case' 0 C--N 1.386 2.154 0 CA-C-N 114.767 -1.106 . . . . 99.99 110.076 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -67.35 -43.36 81.69 Favored 'General case' 0 C--N 1.385 2.116 0 O-C-N 121.561 -0.712 . . . . 99.99 110.346 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -69.52 -37.05 76.97 Favored 'General case' 0 C--N 1.384 2.066 0 O-C-N 121.746 -0.596 . . . . 99.99 110.189 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -55.36 -37.15 67.13 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-O 122.492 1.139 . . . . 99.99 112.161 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.5 m -71.04 -35.74 72.08 Favored 'General case' 0 C--N 1.384 2.1 0 CA-C-N 115.448 -0.796 . . . . 99.99 110.647 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -69.04 -37.54 78.65 Favored 'General case' 0 C--N 1.379 1.877 0 CA-C-O 121.909 0.861 . . . . 99.99 110.208 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.02 -44.09 97.46 Favored 'General case' 0 C--N 1.379 1.889 0 CA-C-N 114.82 -1.082 . . . . 99.99 108.135 175.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -58.28 -35.29 71.57 Favored 'General case' 0 C--N 1.387 2.229 0 CA-C-O 122.317 1.056 . . . . 99.99 111.407 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -63.12 -50.95 58.94 Favored Glycine 0 C--N 1.38 3.028 0 CA-C-O 122.313 0.952 . . . . 99.99 112.448 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.93 -39.26 88.77 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 120.317 -0.553 . . . . 99.99 110.574 -174.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 69.2 mt -63.61 -22.79 31.74 Favored 'Isoleucine or valine' 0 C--N 1.377 1.786 0 CA-C-O 121.597 0.713 . . . . 99.99 110.304 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -90.65 -2.47 57.85 Favored 'General case' 0 C--N 1.38 1.914 0 CA-C-O 121.769 0.795 . . . . 99.99 112.615 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 75.17 27.16 64.62 Favored Glycine 0 C--N 1.382 3.12 0 CA-C-O 121.83 0.683 . . . . 99.99 112.153 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 42.3 mt -112.93 115.96 29.24 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 106.698 -1.593 . . . . 99.99 106.698 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.504 ' OE1' ' NZ ' ' A' ' 166' ' ' LYS . 21.7 mt-10 -76.09 129.63 37.11 Favored 'General case' 0 C--N 1.377 1.783 0 C-N-CA 118.648 -1.221 . . . . 99.99 108.726 171.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 39.3 t -93.71 103.04 14.26 Favored 'Isoleucine or valine' 0 C--N 1.379 1.848 0 N-CA-C 105.647 -1.983 . . . . 99.99 105.647 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.504 ' NZ ' ' OE1' ' A' ' 164' ' ' GLU . 68.4 mmtt -87.1 -6.69 58.59 Favored 'General case' 0 C--N 1.395 2.567 0 CA-C-N 112.678 -2.055 . . . . 99.99 111.822 -168.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -172.83 154.88 3.03 Favored 'General case' 0 C--N 1.381 1.939 0 N-CA-C 103.75 -2.685 . . . . 99.99 103.75 167.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 15.7 tt -132.33 119.14 38.54 Favored 'Isoleucine or valine' 0 C--N 1.378 1.832 0 N-CA-C 104.742 -2.318 . . . . 99.99 104.742 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 32.2 pt -119.05 162.82 16.85 Favored 'Isoleucine or valine' 0 C--N 1.38 1.917 0 CA-C-O 124.871 2.272 . . . . 99.99 109.119 -166.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -92.48 148.88 21.75 Favored 'General case' 0 C--N 1.377 1.8 0 CA-C-N 111.841 -2.436 . . . . 99.99 107.288 -170.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.666 ' OE2' ' NZ ' ' A' ' 70' ' ' LYS . 37.7 mt-10 -58.16 -45.0 99.77 Favored Pre-proline 0 C--N 1.375 1.703 0 CA-C-N 113.133 -1.849 . . . . 99.99 112.064 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -62.72 -34.1 74.6 Favored 'Trans proline' 0 C--N 1.378 2.099 0 CA-C-N 121.259 1.486 . . . . 99.99 114.409 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.2 m -68.9 -45.34 71.18 Favored 'General case' 0 C--N 1.382 2.002 0 N-CA-C 105.082 -2.192 . . . . 99.99 105.082 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.35 88.0 Favored 'General case' 0 C--N 1.385 2.146 0 CA-C-N 113.017 -1.901 . . . . 99.99 109.815 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.04 -49.62 73.21 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 120.639 -0.424 . . . . 99.99 111.082 173.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.61 96.65 Favored 'General case' 0 C--N 1.382 1.997 0 CA-C-O 121.939 0.876 . . . . 99.99 112.952 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.67 -41.76 99.25 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-O 123.19 1.471 . . . . 99.99 109.26 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -59.36 -36.38 75.64 Favored 'General case' 0 C--N 1.382 1.992 0 N-CA-C 114.57 1.322 . . . . 99.99 114.57 -170.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -91.36 12.35 20.77 Favored 'General case' 0 C--N 1.382 1.998 0 CA-C-N 115.434 -0.803 . . . . 99.99 111.304 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . 91.34 14.39 57.31 Favored Glycine 0 C--N 1.388 3.461 0 N-CA-C 118.206 2.042 . . . . 99.99 118.206 168.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 7.8 mp -89.42 53.66 2.69 Favored 'General case' 0 C--N 1.377 1.777 0 CA-C-O 123.604 1.669 . . . . 99.99 109.773 -171.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.58 -28.4 21.96 Favored 'General case' 0 C--N 1.384 2.095 0 CA-C-N 112.72 -2.036 . . . . 99.99 110.891 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -172.22 169.69 5.36 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-N 113.91 -1.495 . . . . 99.99 109.052 -167.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 93.78 27.0 13.4 Favored Glycine 0 C--N 1.385 3.288 0 CA-C-N 114.511 -1.222 . . . . 99.99 113.952 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.49 166.65 32.03 Favored 'General case' 0 C--N 1.374 1.635 0 N-CA-C 101.863 -3.384 . . . . 99.99 101.863 167.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -82.79 -32.81 26.02 Favored Glycine 0 C--N 1.374 2.693 0 C-N-CA 119.699 -1.239 . . . . 99.99 111.596 171.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -156.63 143.05 18.34 Favored 'General case' 0 C--N 1.378 1.825 0 N-CA-C 103.903 -2.628 . . . . 99.99 103.903 -173.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -141.02 139.51 34.16 Favored 'General case' 0 C--N 1.382 2.011 0 CA-C-O 122.87 1.319 . . . . 99.99 109.074 161.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' THR . . . . . . . . . . . . . 61.6 m -109.64 116.51 31.86 Favored 'General case' 0 C--N 1.382 2.0 0 N-CA-C 103.809 -2.663 . . . . 99.99 103.809 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' ILE . . . . . . . . . . . . . 54.6 mt -113.24 145.08 19.63 Favored 'Isoleucine or valine' 0 C--N 1.385 2.112 0 CA-C-N 112.955 -1.93 . . . . 99.99 107.267 -169.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -112.98 123.48 50.43 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-N 113.162 -1.836 . . . . 99.99 107.433 165.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.45 113.18 42.42 Favored 'Isoleucine or valine' 0 C--N 1.385 2.121 0 CA-C-N 114.304 -1.316 . . . . 99.99 107.63 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -104.41 108.32 19.68 Favored 'General case' 0 C--N 1.383 2.06 0 N-CA-C 104.079 -2.563 . . . . 99.99 104.079 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -111.95 110.72 21.2 Favored 'General case' 0 C--N 1.384 2.089 0 N-CA-C 106.25 -1.759 . . . . 99.99 106.25 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 56.2 tp -125.79 91.03 3.31 Favored 'General case' 0 C--N 1.392 2.44 0 N-CA-C 106.057 -1.831 . . . . 99.99 106.057 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -88.45 -140.44 7.19 Favored Glycine 0 C--N 1.384 3.197 0 CA-C-N 111.752 -2.476 . . . . 99.99 113.849 -160.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' GLY . . . . . . . . . . . . . . . -86.55 -34.77 11.24 Favored Glycine 0 C--N 1.386 3.316 0 CA-C-N 113.197 -1.502 . . . . 99.99 111.846 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -159.54 36.52 0.48 Allowed Glycine 0 C--N 1.387 3.415 0 CA-C-N 114.546 -0.827 . . . . 99.99 112.562 -175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -169.17 159.68 9.18 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-N 112.656 -1.772 . . . . 99.99 108.685 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -135.46 134.05 39.19 Favored 'General case' 0 C--N 1.389 2.313 0 CA-C-N 111.279 -2.692 . . . . 99.99 107.474 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -137.09 143.27 42.48 Favored 'General case' 0 C--N 1.384 2.072 0 CA-C-O 124.515 2.103 . . . . 99.99 106.761 172.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ILE . . . . . . . . . . . . . 2.3 tp -120.1 127.87 75.92 Favored 'Isoleucine or valine' 0 C--N 1.385 2.117 0 N-CA-C 101.57 -3.493 . . . . 99.99 101.57 166.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' SER . . . . . . . . . . . . . 31.7 m -134.71 122.73 22.6 Favored 'General case' 0 C--N 1.377 1.786 0 N-CA-C 106.779 -1.563 . . . . 99.99 106.779 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ILE . . . . . . . . . . . . . 17.5 mt -106.37 126.33 62.05 Favored 'Isoleucine or valine' 0 C--N 1.385 2.145 0 N-CA-C 102.89 -3.004 . . . . 99.99 102.89 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 218' ' ' VAL . 26.8 pt -138.21 150.69 24.62 Favored 'Isoleucine or valine' 0 C--N 1.385 2.152 0 CA-C-N 111.63 -2.532 . . . . 99.99 107.55 -166.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -117.9 132.29 56.43 Favored 'General case' 0 C--N 1.383 2.053 0 CA-C-N 112.775 -2.011 . . . . 99.99 105.702 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 24.7 mm -119.36 114.85 45.84 Favored 'Isoleucine or valine' 0 C--N 1.386 2.187 0 N-CA-C 104.339 -2.467 . . . . 99.99 104.339 173.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -120.29 137.98 53.95 Favored 'General case' 0 C--N 1.377 1.776 0 N-CA-C 105.495 -2.039 . . . . 99.99 105.495 -175.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -112.3 -5.81 14.12 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-N 113.757 -1.565 . . . . 99.99 110.051 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . . . . . . . . . 38.3 t -80.62 -5.48 8.51 Favored 'Isoleucine or valine' 0 C--N 1.388 2.251 0 O-C-N 120.517 -1.364 . . . . 99.99 112.702 -168.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -91.34 11.86 22.32 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-O 121.782 0.801 . . . . 99.99 111.483 170.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' GLY . . . . . . . . . . . . . . . 98.39 52.26 1.35 Allowed Glycine 0 C--N 1.383 3.141 0 CA-C-N 114.864 -1.062 . . . . 99.99 111.175 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 62.38 41.66 9.84 Favored 'General case' 0 C--N 1.382 2.012 0 CA-C-N 113.424 -1.388 . . . . 99.99 110.248 170.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' LYS . . . . . 0.638 ' O ' ' NZ ' ' A' ' 214' ' ' LYS . 0.0 OUTLIER -163.73 84.7 0.47 Allowed 'General case' 0 C--N 1.395 2.572 0 N-CA-C 115.067 1.506 . . . . 99.99 115.067 176.251 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . 0.416 ' OG1' ' NZ ' ' A' ' 214' ' ' LYS . 0.3 OUTLIER -157.65 131.21 7.86 Favored 'General case' 0 C--N 1.378 1.806 0 C-N-CA 117.997 -1.481 . . . . 99.99 113.731 139.349 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -118.61 102.33 8.79 Favored 'General case' 0 C--N 1.391 2.396 0 N-CA-C 104.831 -2.285 . . . . 99.99 104.831 171.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -125.41 146.65 49.51 Favored 'General case' 0 C--N 1.385 2.124 0 CA-C-O 122.375 1.083 . . . . 99.99 111.284 -171.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 0.446 ' HA ' HG22 ' A' ' 205' ' ' ILE . 87.8 t -98.73 120.46 48.08 Favored 'Isoleucine or valine' 0 C--N 1.391 2.406 0 N-CA-C 106.279 -1.749 . . . . 99.99 106.279 176.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 40.7 tp -90.57 -46.13 8.49 Favored 'General case' 0 C--N 1.386 2.169 0 CA-C-N 114.973 -1.012 . . . . 99.99 109.334 -171.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' ALA . . . . . . . . . . . . . . . -157.54 137.48 12.42 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 114.504 -1.225 . . . . 99.99 108.232 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' THR . . . . . . . . . . . . . 3.7 m -133.36 146.55 51.38 Favored 'General case' 0 C--N 1.382 2.005 0 N-CA-C 106.653 -1.61 . . . . 99.99 106.653 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -157.26 169.71 24.12 Favored 'General case' 0 C--N 1.383 2.064 0 N-CA-C 105.541 -2.022 . . . . 99.99 105.541 170.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 179.93 179.38 48.8 Favored Glycine 0 C--N 1.37 2.458 0 N-CA-C 107.946 -2.061 . . . . 99.99 107.946 -167.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 225' ' ' THR . 68.1 t0 -151.76 155.18 37.74 Favored 'General case' 0 C--N 1.373 1.625 0 CA-C-O 126.149 2.88 . . . . 99.99 107.03 -178.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . 0.52 ' N ' ' OD1' ' A' ' 224' ' ' ASP . 23.1 m -95.2 -35.47 11.83 Favored 'General case' 0 C--N 1.37 1.46 1 CA-C-N 107.483 -4.417 . . . . 99.99 108.067 -155.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -143.44 66.93 1.29 Allowed 'General case' 0 C--N 1.387 2.238 0 N-CA-C 104.987 -2.227 . . . . 99.99 104.987 -174.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' LEU . . . . . . . . . . . . . 7.9 tt -116.83 141.95 47.56 Favored 'General case' 0 C--N 1.384 2.084 0 CA-C-O 122.668 1.223 . . . . 99.99 110.736 -174.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . 77.08 -154.68 43.32 Favored Glycine 0 C--N 1.39 3.534 0 N-CA-C 106.181 -2.767 . . . . 99.99 106.181 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . . . . . . . . . . . 49.63 -93.68 0.01 OUTLIER Glycine 0 C--N 1.376 2.789 0 CA-C-O 124.465 2.147 . . . . 99.99 115.807 155.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' GLU . . . . . . . . . . . . 0.252 6.4 pt-20 -66.12 -31.14 71.81 Favored 'General case' 0 C--N 1.391 2.381 0 CA-C-N 113.471 -1.364 . . . . 99.99 113.288 -160.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' ASP . . . . . 0.861 ' HB2' HD11 ' A' ' 312' ' ' LEU . 37.3 m-20 -92.22 -10.64 37.89 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-O 121.873 0.844 . . . . 99.99 111.922 178.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.26 -50.14 4.45 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-O 123.182 1.468 . . . . 99.99 108.032 -173.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -69.7 -28.8 66.14 Favored 'General case' 0 C--N 1.377 1.776 0 N-CA-C 103.803 -2.666 . . . . 99.99 103.803 -171.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' SER . . . . . . . . . . . . . 19.4 m -62.29 -23.19 66.59 Favored 'General case' 0 C--N 1.39 2.339 0 N-CA-C 114.136 1.162 . . . . 99.99 114.136 173.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -74.02 -41.9 61.16 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 106.008 -1.849 . . . . 99.99 106.008 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.21 -46.79 48.37 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-N 113.709 -1.587 . . . . 99.99 109.99 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' ILE . . . . . . . . . . . . . 5.1 mm -52.02 -46.72 42.57 Favored 'Isoleucine or valine' 0 C--N 1.388 2.274 0 N-CA-C 106.968 -1.494 . . . . 99.99 106.968 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -69.11 -36.11 77.17 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-N 114.283 -1.326 . . . . 99.99 112.728 -172.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -60.98 -44.3 97.55 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-O 122.222 1.011 . . . . 99.99 109.034 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' LEU . . . . . . . . . . . . . 41.7 mt -65.54 -35.84 82.03 Favored 'General case' 0 C--N 1.384 2.099 0 CA-C-N 114.841 -1.072 . . . . 99.99 109.756 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.64 -55.36 24.26 Favored 'Isoleucine or valine' 0 C--N 1.386 2.179 0 N-CA-C 108.869 -0.789 . . . . 99.99 108.869 172.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' GLU . . . . . 0.567 ' OE1' ' NZ ' ' A' ' 245' ' ' LYS . 72.4 mm-40 -67.34 -28.17 67.75 Favored 'General case' 0 C--N 1.386 2.183 0 C-N-CA 117.702 -1.599 . . . . 99.99 112.151 -171.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' GLU . . . . . 0.546 ' OE1' ' NZ ' ' A' ' 246' ' ' LYS . 1.4 tp10 -67.02 -44.42 80.32 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-O 122.74 1.257 . . . . 99.99 108.844 175.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -64.38 -42.63 96.06 Favored 'General case' 0 C--N 1.379 1.861 0 CA-C-O 122.458 1.123 . . . . 99.99 110.253 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' LYS . . . . . 0.567 ' NZ ' ' OE1' ' A' ' 242' ' ' GLU . 24.0 ttpt -60.47 -37.24 80.39 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-O 122.613 1.197 . . . . 99.99 109.699 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' LYS . . . . . 0.546 ' NZ ' ' OE1' ' A' ' 243' ' ' GLU . 28.7 ttmt -71.95 -51.91 19.74 Favored 'General case' 0 C--N 1.377 1.788 0 CA-C-N 113.832 -1.531 . . . . 99.99 109.665 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.51 -44.4 64.74 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 120.307 -0.557 . . . . 99.99 111.317 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -116.25 3.8 13.46 Favored 'General case' 0 C--N 1.387 2.237 0 N-CA-C 116.428 2.01 . . . . 99.99 116.428 -166.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' GLY . . . . . . . . . . . . . . . 68.74 21.83 75.1 Favored Glycine 0 C--N 1.38 3.008 0 N-CA-C 115.812 1.085 . . . . 99.99 115.812 164.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' ILE . . . . . . . . . . . . . 21.1 mm -141.47 144.93 25.34 Favored 'Isoleucine or valine' 0 C--N 1.379 1.874 0 N-CA-C 106.391 -1.707 . . . . 99.99 106.391 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 252' ' ' LEU . 19.4 t0 -92.44 161.62 14.57 Favored 'General case' 0 C--N 1.383 2.03 0 CA-C-O 123.499 1.618 . . . . 99.99 110.009 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' LEU . . . . . 0.481 ' N ' ' OD1' ' A' ' 251' ' ' ASP . 6.6 mp -124.06 -22.34 4.84 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 110.856 -2.884 . . . . 99.99 111.163 -177.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -65.88 -15.06 62.6 Favored 'General case' 0 C--N 1.388 2.27 0 CA-C-O 123.022 1.391 . . . . 99.99 110.95 -174.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -80.46 -17.34 51.99 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 113.148 -1.842 . . . . 99.99 112.439 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -108.81 112.42 60.34 Favored Pre-proline 0 C--N 1.376 1.749 0 N-CA-C 107.476 -1.305 . . . . 99.99 107.476 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -66.87 -23.88 47.05 Favored 'Trans proline' 0 C--N 1.385 2.498 0 N-CA-C 115.384 1.263 . . . . 99.99 115.384 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' LEU . . . . . . . . . . . . . 6.0 tt -87.48 -44.66 11.13 Favored 'General case' 0 C--N 1.376 1.74 0 N-CA-C 105.262 -2.125 . . . . 99.99 105.262 -169.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' ALA . . . . . . . . . . . . . . . -64.31 -38.73 92.06 Favored 'General case' 0 C--N 1.382 2.001 0 CA-C-N 114.602 -1.181 . . . . 99.99 109.563 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' MET . . . . . . . . . . . . . 24.1 mmt -60.11 -47.11 87.26 Favored 'General case' 0 C--N 1.382 1.989 0 C-N-CA 119.707 -0.797 . . . . 99.99 109.469 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.14 -43.64 94.62 Favored 'General case' 0 C--N 1.381 1.945 0 CA-C-O 121.593 0.711 . . . . 99.99 110.919 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -68.01 -41.02 82.84 Favored 'General case' 0 C--N 1.388 2.266 0 CA-C-N 115.475 -0.784 . . . . 99.99 110.443 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 17.5 tp -61.38 -41.29 96.87 Favored 'General case' 0 C--N 1.387 2.225 0 C-N-CA 119.01 -1.076 . . . . 99.99 110.244 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.4 -61.26 2.46 Favored 'General case' 0 C--N 1.378 1.821 0 CA-C-O 121.161 0.505 . . . . 99.99 110.172 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' GLU . . . . . 0.656 ' OE2' ' NZ ' ' A' ' 55' ' ' LYS . 14.0 mt-10 -58.44 -40.68 83.21 Favored 'General case' 0 C--N 1.388 2.279 0 CA-C-O 121.523 0.678 . . . . 99.99 111.483 -176.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' ALA . . . . . . . . . . . . . . . -70.62 -44.72 66.64 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 119.592 -0.843 . . . . 99.99 112.399 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -72.53 -32.67 66.3 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-O 121.773 0.797 . . . . 99.99 110.968 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -65.91 -33.42 75.8 Favored 'General case' 0 C--N 1.386 2.153 0 CA-C-N 114.982 -1.008 . . . . 99.99 109.86 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . 0.713 ' NZ ' ' OE2' ' A' ' 272' ' ' GLU . 62.4 tttm -69.93 -47.07 63.84 Favored 'General case' 0 C--N 1.384 2.076 0 N-CA-C 107.777 -1.194 . . . . 99.99 107.777 174.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.62 88.65 Favored 'General case' 0 C--N 1.383 2.026 0 CA-C-O 121.122 0.487 . . . . 99.99 110.986 -177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -56.66 -38.56 72.36 Favored 'General case' 0 C--N 1.385 2.13 0 CA-C-O 122.639 1.209 . . . . 99.99 111.037 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' ILE . . . . . . . . . . . . . 72.4 mt -70.11 -24.32 26.09 Favored 'Isoleucine or valine' 0 C--N 1.386 2.154 0 CA-C-N 114.861 -1.063 . . . . 99.99 110.449 -175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' GLU . . . . . 0.713 ' OE2' ' NZ ' ' A' ' 268' ' ' LYS . 85.0 mt-10 -78.11 -41.28 35.59 Favored 'General case' 0 C--N 1.379 1.875 0 CA-C-O 122.028 0.918 . . . . 99.99 109.411 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.39 -3.42 17.46 Favored 'General case' 0 C--N 1.374 1.633 0 N-CA-C 114.235 1.198 . . . . 99.99 114.235 -168.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . 0.513 ' CB ' ' HD2' ' A' ' 347' ' ' PRO . 69.5 m -105.24 40.87 1.44 Allowed 'General case' 1 C--O 1.396 8.766 1 CA-C-O 108.777 -5.392 . . . . 99.99 108.343 175.249 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' SER . . . . . 0.406 ' H ' ' H ' ' A' ' 276' ' ' ALA . 52.3 p -175.77 0.23 0.01 OUTLIER 'General case' 1 C--N 1.448 4.86 1 O-C-N 109.694 -8.129 . . . . 99.99 108.812 -169.236 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . 0.406 ' H ' ' H ' ' A' ' 275' ' ' SER . . . -164.33 172.33 13.64 Favored 'General case' 0 C--N 1.378 1.817 0 N-CA-C 105.24 -2.133 . . . . 99.99 105.24 -175.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -87.49 -30.91 20.28 Favored 'General case' 0 C--N 1.381 1.946 0 CA-C-N 115.211 -0.904 . . . . 99.99 111.017 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -153.32 155.76 37.08 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-O 122.122 0.963 . . . . 99.99 111.578 -168.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' THR . . . . . . . . . . . . . 5.7 t -158.58 158.0 33.06 Favored 'General case' 0 C--N 1.381 1.948 0 N-CA-C 104.552 -2.388 . . . . 99.99 104.552 171.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -111.91 126.27 54.93 Favored 'General case' 0 C--N 1.376 1.747 0 CA-C-O 122.946 1.355 . . . . 99.99 107.703 -171.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' VAL . . . . . . . . . . . . . 86.4 t -92.58 89.41 2.82 Favored 'Isoleucine or valine' 0 C--N 1.386 2.193 0 N-CA-C 103.748 -2.686 . . . . 99.99 103.748 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -97.5 129.06 44.71 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 112.654 -2.066 . . . . 99.99 107.126 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' LEU . . . . . . . . . . . . . 12.2 mt -144.15 102.12 4.81 Favored Pre-proline 0 C--N 1.378 1.814 0 N-CA-C 107.693 -1.225 . . . . 99.99 107.693 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -79.15 140.06 15.42 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 121.112 1.208 . . . . 99.99 109.021 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 52.02 71.42 0.46 Allowed 'General case' 0 C--N 1.386 2.157 0 CA-C-N 112.796 -2.002 . . . . 99.99 108.47 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' ILE . . . . . . . . . . . . . 7.5 tp -92.29 -40.81 12.52 Favored 'Isoleucine or valine' 0 C--N 1.39 2.329 0 CA-C-N 114.648 -1.16 . . . . 99.99 110.148 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' THR . . . . . . . . . . . . . 19.7 p -156.62 166.22 34.01 Favored 'General case' 0 C--N 1.378 1.81 0 N-CA-C 105.762 -1.94 . . . . 99.99 105.762 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' ALA . . . . . . . . . . . . . . . -149.33 149.69 31.29 Favored 'General case' 0 C--N 1.381 1.977 0 N-CA-C 108.236 -1.024 . . . . 99.99 108.236 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' ASP . . . . . 0.569 ' OD2' ' NZ ' ' A' ' 294' ' ' LYS . 3.1 p30 -150.35 -171.29 3.88 Favored 'General case' 0 C--N 1.376 1.753 0 CA-C-N 113.35 -1.75 . . . . 99.99 107.804 -169.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.52 64.75 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-N 115.364 -0.835 . . . . 99.99 112.497 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' THR . . . . . . . . . . . . . 76.5 p -91.32 4.93 51.15 Favored 'General case' 0 C--N 1.379 1.868 0 CA-C-N 115.66 -0.7 . . . . 99.99 112.511 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' GLY . . . . . . . . . . . . . . . 108.89 -152.62 16.99 Favored Glycine 0 C--N 1.382 3.087 0 N-CA-C 109.905 -1.278 . . . . 99.99 109.905 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.57 163.07 27.1 Favored 'Trans proline' 0 C--N 1.382 2.302 0 CA-C-O 123.274 1.281 . . . . 99.99 110.012 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . 0.569 ' NZ ' ' OD2' ' A' ' 289' ' ' ASP . 45.4 mmtm -118.4 132.77 56.24 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-O 124.179 1.942 . . . . 99.99 107.545 164.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -105.15 136.19 45.12 Favored 'General case' 0 C--N 1.384 2.107 0 N-CA-C 102.36 -3.2 . . . . 99.99 102.36 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' MET . . . . . . . . . . . . . 16.1 ttt -109.5 123.76 49.93 Favored 'General case' 0 C--N 1.375 1.684 0 N-CA-C 106.275 -1.75 . . . . 99.99 106.275 -177.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -141.3 105.23 4.76 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 105.555 -2.017 . . . . 99.99 105.555 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . . . . . . . . . 29.6 mm -119.07 131.98 70.26 Favored 'Isoleucine or valine' 0 C--N 1.384 2.078 0 CA-C-O 123.749 1.738 . . . . 99.99 106.389 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -90.45 129.89 36.58 Favored 'General case' 0 C--N 1.385 2.134 0 CA-C-N 113.599 -1.637 . . . . 99.99 107.112 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' VAL . . . . . . . . . . . . . 12.5 t -127.12 147.19 32.03 Favored 'Isoleucine or valine' 0 C--N 1.388 2.242 0 CA-C-N 112.785 -2.007 . . . . 99.99 105.945 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' THR . . . . . . . . . . . . . 67.6 p -127.9 163.2 24.98 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 113.604 -1.634 . . . . 99.99 106.777 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -62.09 -36.06 80.55 Favored 'General case' 0 C--N 1.384 2.089 0 CA-C-N 114.614 -1.175 . . . . 99.99 108.527 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.19 83.28 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-O 121.468 0.651 . . . . 99.99 112.641 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -71.61 -39.89 70.17 Favored 'General case' 0 C--N 1.385 2.132 0 C-N-CA 119.123 -1.031 . . . . 99.99 108.635 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.74 -54.99 38.51 Favored 'General case' 0 C--N 1.383 2.064 0 CA-C-N 114.348 -1.297 . . . . 99.99 109.932 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -53.77 -30.09 42.97 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-O 121.487 0.661 . . . . 99.99 111.393 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' SER . . . . . . . . . . . . . 8.9 t -86.96 5.21 38.32 Favored 'General case' 0 C--N 1.386 2.16 0 N-CA-C 115.263 1.579 . . . . 99.99 115.263 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 54.5 mt -105.52 -28.64 10.68 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-O 121.534 0.683 . . . . 99.99 111.758 171.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' VAL . . . . . . . . . . . . . 22.0 m -113.08 47.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.379 1.876 0 CA-C-O 123.0 1.381 . . . . 99.99 114.024 -163.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.36 87.53 7.14 Favored 'General case' 0 C--N 1.38 1.898 0 O-C-N 119.569 -1.957 . . . . 99.99 109.804 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -174.9 -91.8 0.0 OUTLIER 'General case' 0 C--N 1.399 2.757 0 CA-C-O 123.157 1.456 . . . . 99.99 112.737 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 231' ' ' ASP . 83.1 mt -68.83 -12.29 61.37 Favored 'General case' 0 C--N 1.382 1.987 0 N-CA-C 119.887 3.291 . . . . 99.99 119.887 -146.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' VAL . . . . . . . . . . . . . 35.2 t -69.32 -32.41 53.39 Favored 'Isoleucine or valine' 0 C--N 1.376 1.733 0 N-CA-C 105.533 -2.025 . . . . 99.99 105.533 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -68.05 -32.53 72.93 Favored 'General case' 0 C--N 1.384 2.109 0 N-CA-C 107.423 -1.325 . . . . 99.99 107.423 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -65.21 -11.73 43.84 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 123.014 0.525 . . . . 99.99 110.049 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' SER . . . . . . . . . . . . . 12.2 p -95.6 -9.04 33.27 Favored 'General case' 0 C--N 1.385 2.132 0 N-CA-C 113.548 0.944 . . . . 99.99 113.548 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.84 -21.32 5.2 Favored 'Isoleucine or valine' 0 C--N 1.378 1.836 0 C-N-CA 124.802 1.241 . . . . 99.99 108.863 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -68.14 -57.15 9.6 Favored Pre-proline 0 C--N 1.378 1.84 0 C-N-CA 123.611 0.764 . . . . 99.99 112.385 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.64 -16.53 46.92 Favored 'Trans proline' 0 C--N 1.377 2.034 0 CA-C-N 122.161 1.808 . . . . 99.99 111.974 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 12.1 tp -68.64 -19.04 64.4 Favored 'General case' 0 C--N 1.382 1.998 0 CA-C-N 113.892 -1.504 . . . . 99.99 109.673 174.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -79.23 -47.65 15.59 Favored 'General case' 0 C--N 1.39 2.331 0 N-CA-C 108.208 -1.034 . . . . 99.99 108.208 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 9.3 m -66.64 -35.3 74.48 Favored 'Isoleucine or valine' 0 C--N 1.386 2.185 0 CA-C-O 122.46 1.124 . . . . 99.99 109.456 -172.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' ALA . . . . . . . . . . . . . . . -63.02 -24.49 67.94 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 114.567 -1.197 . . . . 99.99 111.91 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 66.9 mt -90.25 -44.4 9.75 Favored 'General case' 0 C--N 1.385 2.148 0 CA-C-N 115.009 -0.996 . . . . 99.99 110.107 174.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -63.17 -37.03 85.62 Favored 'General case' 0 C--N 1.385 2.126 0 CA-C-N 116.359 -0.382 . . . . 99.99 111.836 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -71.13 -35.74 71.83 Favored 'General case' 0 C--N 1.379 1.876 0 CA-C-O 121.962 0.887 . . . . 99.99 109.522 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' ALA . . . . . . . . . . . . . . . -79.4 -32.94 43.06 Favored 'General case' 0 C--N 1.383 2.061 0 CA-C-O 122.412 1.101 . . . . 99.99 112.533 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' GLY . . . . . . . . . . . . . . . 86.27 25.97 35.05 Favored Glycine 0 C--N 1.383 3.155 0 CA-C-N 114.722 -1.126 . . . . 99.99 114.112 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' LEU . . . . . . . . . . . . . 79.8 mt -112.38 161.51 16.59 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-O 122.452 1.12 . . . . 99.99 110.1 -176.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' SER . . . . . . . . . . . . . 10.0 t -108.6 164.86 11.99 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.582 2.134 . . . . 99.99 110.769 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' VAL . . . . . . . . . . . . . 23.7 m -65.93 -19.7 26.1 Favored 'Isoleucine or valine' 0 C--N 1.388 2.242 0 CA-C-N 113.371 -1.74 . . . . 99.99 112.304 -172.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.4 t -81.5 -16.48 51.73 Favored 'General case' 0 C--N 1.383 2.056 0 CA-C-N 114.113 -1.403 . . . . 99.99 113.234 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -82.82 -19.69 37.16 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-O 123.716 1.722 . . . . 99.99 108.63 -169.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' ILE . . . . . . . . . . . . . 31.7 mm -83.61 129.6 37.25 Favored 'Isoleucine or valine' 0 C--N 1.383 2.064 0 CA-C-N 112.125 -2.307 . . . . 99.99 105.035 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.79 -54.85 5.45 Favored 'General case' 0 C--N 1.382 2.013 0 N-CA-C 105.708 -1.96 . . . . 99.99 105.708 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -124.32 128.79 49.65 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 113.478 -1.692 . . . . 99.99 109.267 -166.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.17 118.89 55.82 Favored 'Isoleucine or valine' 0 C--N 1.383 2.06 0 N-CA-C 104.67 -2.344 . . . . 99.99 104.67 164.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' ILE . . . . . . . . . . . . . 48.3 pt -118.24 142.14 34.27 Favored 'Isoleucine or valine' 0 C--N 1.384 2.089 0 CA-C-N 112.995 -1.911 . . . . 99.99 110.027 -173.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 85.0 mt -101.97 142.65 32.92 Favored 'General case' 0 C--N 1.387 2.203 0 CA-C-N 113.042 -1.89 . . . . 99.99 111.356 -171.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' VAL . . . . . . . . . . . . . 60.6 t -136.63 153.57 30.77 Favored 'Isoleucine or valine' 0 C--N 1.381 1.936 0 N-CA-C 106.466 -1.679 . . . . 99.99 106.466 166.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' GLY . . . . . . . . . . . . . . . 97.05 138.49 10.11 Favored Glycine 0 C--N 1.384 3.202 0 CA-C-O 123.874 1.819 . . . . 99.99 111.287 170.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' GLY . . . . . . . . . . . . . . . -63.94 -17.39 60.82 Favored Glycine 0 C--N 1.382 3.114 0 CA-C-N 113.576 -1.312 . . . . 99.99 116.349 -169.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -75.73 -13.21 60.3 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 121.955 0.883 . . . . 99.99 109.396 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 44.3 p -83.3 21.87 1.08 Allowed 'General case' 0 C--N 1.384 2.1 0 N-CA-C 114.731 1.382 . . . . 99.99 114.731 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -102.61 -5.51 23.8 Favored 'General case' 0 C--N 1.391 2.4 0 CA-C-N 113.318 -1.765 . . . . 99.99 113.18 163.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' MET . . . . . . . . . . . . . 60.4 ttp -84.32 116.51 65.32 Favored Pre-proline 0 C--N 1.369 1.443 0 N-CA-C 106.218 -1.771 . . . . 99.99 106.218 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . 0.513 ' HD2' ' CB ' ' A' ' 274' ' ' SER . 24.0 Cg_exo -47.38 -33.73 17.55 Favored 'Trans proline' 0 C--N 1.388 2.619 0 N-CA-C 116.589 1.727 . . . . 99.99 116.589 -177.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' MET . . . . . . . . . . . . . 13.6 ttp -60.67 -38.34 84.6 Favored 'General case' 0 C--N 1.377 1.79 0 CA-C-N 115.582 -0.735 . . . . 99.99 111.969 -172.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' VAL . . . . . . . . . . . . . 11.9 m -79.39 -35.77 17.28 Favored 'Isoleucine or valine' 0 C--N 1.383 2.06 0 CA-C-O 122.31 1.052 . . . . 99.99 109.697 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.21 -44.58 96.26 Favored 'General case' 0 C--N 1.376 1.743 0 N-CA-C 107.603 -1.258 . . . . 99.99 107.603 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -61.52 -54.64 40.53 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-N 115.306 -0.861 . . . . 99.99 109.68 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -69.67 -21.5 63.52 Favored 'General case' 0 C--N 1.383 2.04 0 N-CA-C 114.02 1.119 . . . . 99.99 114.02 -170.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' VAL . . . . . . . . . . . . . 76.4 t -77.02 -42.74 32.1 Favored 'Isoleucine or valine' 0 C--N 1.381 1.976 0 N-CA-C 108.11 -1.07 . . . . 99.99 108.11 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.82 93.26 Favored 'General case' 0 C--N 1.386 2.18 0 CA-C-N 115.154 -0.93 . . . . 99.99 109.572 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -58.54 -33.42 69.87 Favored 'General case' 0 C--N 1.384 2.088 0 CA-C-N 115.144 -0.934 . . . . 99.99 111.951 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -82.1 -46.54 13.72 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 115.283 -0.872 . . . . 99.99 109.618 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -82.4 -25.22 33.93 Favored 'General case' 0 C--N 1.386 2.162 0 N-CA-C 114.276 1.213 . . . . 99.99 114.276 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . 92.01 -20.28 43.82 Favored Glycine 0 C--N 1.374 2.665 0 N-CA-C 114.514 0.565 . . . . 99.99 114.514 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -122.44 133.68 54.61 Favored 'General case' 0 C--N 1.374 1.659 0 N-CA-C 105.534 -2.024 . . . . 99.99 105.534 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 361' ' ' PRO . 76.7 mm-40 -64.39 132.81 95.47 Favored Pre-proline 0 C--N 1.386 2.163 0 CA-C-N 115.723 -0.671 . . . . 99.99 110.721 -171.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 360' ' ' GLU . 24.1 Cg_exo -69.44 144.9 57.27 Favored 'Trans proline' 0 C--N 1.387 2.584 0 C-N-CA 120.975 1.117 . . . . 99.99 114.148 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -88.68 132.16 34.7 Favored 'General case' 0 C--N 1.389 2.296 0 CA-C-O 124.54 2.114 . . . . 99.99 110.017 -174.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -146.22 41.14 1.16 Allowed 'General case' 0 C--N 1.393 2.465 0 CA-C-N 111.743 -2.481 . . . . 99.99 108.386 -175.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -88.14 10.57 18.88 Favored 'General case' 0 C--N 1.382 1.981 0 C-N-CA 127.032 2.133 . . . . 99.99 110.827 -173.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' VAL . . . . . . . . . . . . . 48.9 t -153.11 140.43 13.21 Favored 'Isoleucine or valine' 0 C--N 1.372 1.573 0 N-CA-C 101.734 -3.432 . . . . 99.99 101.734 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' ASN . . . . . 0.404 HD22 ' CD ' ' A' ' 369' ' ' GLU . 37.3 t30 -72.3 117.76 61.49 Favored Pre-proline 0 C--N 1.378 1.827 0 CA-C-N 115.228 -0.896 . . . . 99.99 112.478 -164.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -76.32 22.37 0.51 Allowed 'Trans proline' 0 C--N 1.386 2.544 0 N-CA-C 121.038 3.438 . . . . 99.99 121.038 -170.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -119.44 12.39 12.4 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 123.48 0.712 . . . . 99.99 111.694 156.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' GLU . . . . . 0.404 ' CD ' HD22 ' A' ' 366' ' ' ASN . 59.3 mt-10 -128.92 -38.52 1.65 Allowed 'General case' 0 C--N 1.388 2.241 0 C-N-CA 125.706 1.603 . . . . 99.99 111.776 175.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' ALA . . . . . . . . . . . . . . . -45.31 -47.87 13.1 Favored 'General case' 0 C--N 1.386 2.161 0 CA-C-O 122.181 0.991 . . . . 99.99 112.167 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' VAL . . . . . 0.444 HG13 ' OD2' ' A' ' 8' ' ' ASP . 2.5 p -66.32 -16.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.37 1.474 0 CA-C-O 121.82 0.819 . . . . 99.99 112.878 -176.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -88.16 -36.37 16.87 Favored 'General case' 0 C--N 1.383 2.034 0 C-N-CA 124.402 1.081 . . . . 99.99 108.934 172.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.38 -34.79 66.25 Favored 'Isoleucine or valine' 0 C--N 1.381 1.975 0 N-CA-C 107.249 -1.389 . . . . 99.99 107.249 174.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' GLY . . . . . . . . . . . . . . . -59.7 -30.01 68.24 Favored Glycine 0 C--N 1.376 2.783 0 CA-C-N 115.44 -0.8 . . . . 99.99 114.579 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' ALA . . . . . . . . . . . . . . . -78.71 -46.37 19.17 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-O 122.2 1.0 . . . . 99.99 108.331 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -57.76 -43.13 85.25 Favored 'General case' 0 C--N 1.384 2.106 0 N-CA-C 113.877 1.065 . . . . 99.99 113.877 -176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' VAL . . . . . . . . . . . . . 6.0 p -70.76 -22.36 23.2 Favored 'Isoleucine or valine' 0 C--N 1.385 2.136 0 CA-C-O 122.416 1.103 . . . . 99.99 112.49 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -81.67 -54.5 5.34 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 106.41 -1.7 . . . . 99.99 106.41 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -57.91 -46.15 92.81 Favored Glycine 0 N--CA 1.482 1.749 0 CA-C-N 115.043 -0.98 . . . . 99.99 115.376 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' GLY . . . . . . . . . . . . . . . -64.31 -108.57 0.01 OUTLIER Glycine 0 N--CA 1.476 1.358 0 C-N-CA 124.568 1.08 . . . . 99.99 114.478 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.72 -31.35 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 114.385 1.254 . . . . 99.99 114.385 -173.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' LEU . . . . . . . . . . . . . 3.4 tt -70.23 -71.91 0.22 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 118.679 -0.677 . . . . 99.99 110.966 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' THR . . . . . . . . . . . . . 2.7 m -75.47 -5.25 44.16 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.151 1.167 . . . . 99.99 114.151 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' GLY . . . . . . . . . . . . . . . -6.4 -73.15 0.01 OUTLIER Glycine 0 N--CA 1.482 1.734 0 O-C-N 120.524 -1.36 . . . . 99.99 115.229 123.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -135.28 -131.6 0.15 Allowed 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 106.551 -1.648 . . . . 99.99 106.551 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' VAL . . . . . 0.479 ' HA ' ' OD1' ' A' ' 481' ' ' ASP 0.715 0.1 OUTLIER 40.27 113.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.707 1 N-CA-C 130.018 7.044 . . . . 99.99 130.018 165.911 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' LYS . . . . . . . . . . . . 1.04 12.0 mttm 144.11 -118.27 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.423 3 N-CA-C 125.775 5.472 . . . . 99.99 125.775 143.469 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . 0.494 ' HA ' ' HB1' ' A' ' 480' ' ' ALA . 2.9 m-20 -142.66 167.79 21.24 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 119.648 3.203 . . . . 99.99 119.648 -143.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' VAL . . . . . . . . . . . . 1.198 27.5 m 149.4 -135.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.041 1 C-N-CA 134.37 5.068 . . . . 99.99 116.349 156.89 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 1.4 tp -135.12 -170.22 2.53 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.709 1.374 . . . . 99.99 114.709 -150.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 1.7 pp -107.13 168.38 9.25 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 118.753 2.871 . . . . 99.99 118.753 -170.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' LEU . . . . . . . . . . . . 0.747 0.4 OUTLIER 118.82 -133.37 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.804 1 C-N-CA 135.084 5.354 . . . . 99.99 112.617 172.086 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -116.93 150.16 38.97 Favored 'General case' 0 N--CA 1.485 1.283 1 CA-C-N 126.26 4.118 . . . . 99.99 117.201 -166.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' VAL . . . . . 0.762 HG12 ' HB ' ' A' ' 395' ' ' THR 0.992 0.9 OUTLIER -154.59 -89.82 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 N-CA-C 120.393 3.479 . . . . 99.99 120.393 170.852 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' THR . . . . . 0.762 ' HB ' HG12 ' A' ' 394' ' ' VAL 1.051 0.9 OUTLIER 133.93 74.59 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.707 3 C-N-CA 145.07 9.348 . . . . 99.99 118.772 3.41 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' PRO . . . . . . . . . . . . 0.34 43.1 Cg_endo -42.83 -135.58 0.0 OUTLIER 'Trans proline' 0 CA--C 1.502 -1.105 1 C-N-CA 126.527 4.818 . . . . 99.99 120.142 -155.778 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 64.0 mt -60.92 159.32 11.55 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 120.225 -1.547 . . . . 99.99 114.767 -118.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' SER . . . . . . . . . . . . . 3.9 m -68.97 155.48 40.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 124.278 1.99 . . . . 99.99 114.223 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' LEU . . . . . . . . . . . . . 32.4 mt -130.21 136.62 49.42 Favored 'General case' 0 C--N 1.392 2.453 0 CA-C-N 112.176 -2.284 . . . . 99.99 106.636 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' GLY . . . . . . . . . . . . . . . -167.48 -166.67 26.96 Favored Glycine 0 C--N 1.386 3.331 0 CA-C-N 113.227 -1.806 . . . . 99.99 112.392 -173.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ILE . . . . . . . . . . . . . 30.1 pt -135.77 162.16 37.31 Favored 'Isoleucine or valine' 0 C--N 1.387 2.204 0 CA-C-N 113.259 -1.471 . . . . 99.99 112.475 -174.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -84.45 126.13 32.99 Favored 'General case' 0 C--N 1.396 2.597 0 CA-C-N 113.526 -1.67 . . . . 99.99 109.042 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' THR . . . . . . . . . . . . . 33.0 p -116.31 167.04 11.38 Favored 'General case' 0 C--N 1.386 2.182 0 CA-C-O 124.103 1.906 . . . . 99.99 110.911 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' MET . . . . . . . . . . . . . 56.2 ttp -57.01 116.46 3.23 Favored 'General case' 0 C--N 1.396 2.616 0 CA-C-N 113.628 -1.624 . . . . 99.99 107.505 -176.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . 129.96 -28.79 3.85 Favored Glycine 0 C--N 1.382 3.108 0 CA-C-N 111.855 -2.43 . . . . 99.99 110.809 -167.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 83.01 30.35 31.79 Favored Glycine 0 C--N 1.381 3.039 0 N-CA-C 109.551 -1.42 . . . . 99.99 109.551 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 8.2 p -109.48 143.02 20.41 Favored 'Isoleucine or valine' 0 C--N 1.38 1.899 0 CA-C-N 113.307 -1.446 . . . . 99.99 107.169 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' MET . . . . . . . . . . . . . 18.6 ttt -74.92 121.46 21.93 Favored 'General case' 0 C--N 1.381 1.948 0 N-CA-C 107.127 -1.435 . . . . 99.99 107.127 169.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 52.2 m -105.67 125.15 50.65 Favored 'General case' 0 C--N 1.379 1.851 0 N-CA-C 105.365 -2.087 . . . . 99.99 105.365 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' THR . . . . . . . . . . . . . 89.7 m -87.85 134.1 33.76 Favored 'General case' 0 C--N 1.384 2.088 0 CA-C-N 113.773 -1.558 . . . . 99.99 111.486 -170.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.24 -44.98 4.01 Favored 'General case' 0 C--N 1.389 2.283 0 CA-C-N 113.61 -1.632 . . . . 99.99 110.053 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 15.9 mm -116.17 125.04 73.08 Favored 'Isoleucine or valine' 0 C--N 1.385 2.134 0 N-CA-C 104.614 -2.365 . . . . 99.99 104.614 174.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.94 165.76 24.23 Favored 'General case' 0 C--N 1.381 1.949 0 CA-C-O 123.913 1.815 . . . . 99.99 111.96 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . 0.551 ' NZ ' ' OE1' ' A' ' 444' ' ' GLU . 6.3 ttpm? -71.72 134.53 46.31 Favored 'General case' 0 C--N 1.384 2.073 0 CA-C-N 113.0 -1.909 . . . . 99.99 107.851 174.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' ASN . . . . . . . . . . . . 0.289 16.0 m120 79.47 34.86 0.18 Allowed 'General case' 0 C--N 1.379 1.885 0 CA-C-N 112.573 -2.103 . . . . 99.99 113.092 170.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 84.1 m -114.34 144.19 43.67 Favored 'General case' 0 C--N 1.381 1.946 0 CA-C-O 122.757 1.265 . . . . 99.99 109.107 174.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 78.9 p -84.31 -177.96 6.79 Favored 'General case' 0 C--N 1.392 2.435 0 CA-C-N 114.098 -1.41 . . . . 99.99 112.206 -173.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 32.0 pt -131.61 141.33 41.29 Favored Pre-proline 0 C--N 1.386 2.187 0 N-CA-C 107.985 -1.117 . . . . 99.99 107.985 -172.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.49 156.49 85.97 Favored 'Cis proline' 0 C--N 1.382 2.314 0 CA-C-O 123.376 1.324 . . . . 99.99 112.379 3.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . . . . . . . . . 9.8 t -155.92 141.78 18.05 Favored 'General case' 0 C--N 1.383 2.038 0 CA-C-N 113.149 -1.841 . . . . 99.99 107.604 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -135.17 125.84 27.09 Favored 'General case' 0 C--N 1.38 1.893 0 N-CA-C 104.512 -2.403 . . . . 99.99 104.512 -176.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -143.81 162.18 36.71 Favored 'General case' 0 C--N 1.381 1.958 0 CA-C-O 124.372 2.034 . . . . 99.99 106.808 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 58.2 m -156.08 164.8 37.97 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 120.84 -1.162 . . . . 99.99 109.703 -175.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -156.92 151.78 25.9 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-N 112.327 -2.215 . . . . 99.99 106.191 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' VAL . . . . . . . . . . . . . 62.1 t -106.12 131.01 56.8 Favored 'Isoleucine or valine' 0 C--N 1.381 1.974 0 N-CA-C 106.056 -1.831 . . . . 99.99 106.056 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -126.84 -178.81 4.53 Favored 'General case' 0 C--N 1.377 1.794 0 CA-C-O 124.816 2.246 . . . . 99.99 107.559 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 10.8 t -148.23 173.19 13.25 Favored 'General case' 0 C--N 1.379 1.86 0 CA-C-N 112.356 -2.202 . . . . 99.99 107.826 -169.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 11.3 p -76.57 162.67 27.58 Favored 'General case' 0 C--N 1.379 1.888 0 N-CA-C 104.476 -2.416 . . . . 99.99 104.476 169.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -108.18 -24.25 11.61 Favored 'General case' 0 C--N 1.376 1.732 0 CA-C-N 112.132 -2.304 . . . . 99.99 112.728 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -120.31 162.33 19.63 Favored 'General case' 0 C--N 1.375 1.7 0 CA-C-O 123.443 1.592 . . . . 99.99 109.486 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ASP . . . . . 0.539 ' OD2' ' NZ ' ' A' ' 548' ' ' LYS . 67.8 m-20 -88.15 135.9 33.22 Favored 'General case' 0 C--N 1.393 2.475 0 N-CA-C 106.356 -1.72 . . . . 99.99 106.356 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' ASN . . . . . . . . . . . . . 39.6 t30 69.22 25.43 5.69 Favored 'General case' 0 C--N 1.391 2.382 0 CA-C-N 114.378 -1.283 . . . . 99.99 110.23 -173.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -83.38 121.19 26.83 Favored 'General case' 0 C--N 1.384 2.084 0 N-CA-C 107.087 -1.449 . . . . 99.99 107.087 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 21.6 p -102.45 -0.3 32.62 Favored 'General case' 0 C--N 1.376 1.759 0 CA-C-N 113.009 -1.905 . . . . 99.99 114.384 -170.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' ALA . . . . . . . . . . . . . . . -159.29 158.51 32.59 Favored 'General case' 0 C--N 1.375 1.691 0 CA-C-O 123.064 1.411 . . . . 99.99 111.774 -175.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.65 149.86 32.54 Favored 'Isoleucine or valine' 0 C--N 1.387 2.212 0 CA-C-O 124.295 1.998 . . . . 99.99 108.101 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 1.7 m -91.38 138.36 31.64 Favored 'General case' 0 C--N 1.381 1.955 0 N-CA-C 103.781 -2.674 . . . . 99.99 103.781 167.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.16 117.18 54.46 Favored 'Isoleucine or valine' 0 C--N 1.379 1.865 0 N-CA-C 103.479 -2.786 . . . . 99.99 103.479 168.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -111.47 121.41 45.13 Favored 'General case' 0 C--N 1.382 1.982 0 N-CA-C 105.057 -2.201 . . . . 99.99 105.057 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' VAL . . . . . . . . . . . . . 46.4 t -99.36 115.42 40.07 Favored 'Isoleucine or valine' 0 C--N 1.382 1.991 0 CA-C-O 123.644 1.687 . . . . 99.99 106.544 -173.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 95.3 mt -107.47 138.55 43.47 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 112.431 -2.168 . . . . 99.99 108.932 -175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -112.76 127.24 56.09 Favored 'General case' 0 C--N 1.39 2.333 0 N-CA-C 104.646 -2.353 . . . . 99.99 104.646 160.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 162.38 -171.65 38.29 Favored Glycine 0 C--N 1.377 2.818 0 CA-C-N 113.676 -1.602 . . . . 99.99 111.83 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . 0.551 ' OE1' ' NZ ' ' A' ' 414' ' ' LYS . 44.2 mm-40 -135.8 7.73 3.25 Favored 'General case' 0 C--N 1.38 1.908 0 CA-C-N 112.734 -1.733 . . . . 99.99 112.468 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -93.35 153.74 18.36 Favored 'General case' 0 C--N 1.374 1.642 0 N-CA-C 105.518 -2.03 . . . . 99.99 105.518 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -70.33 -54.97 10.36 Favored 'General case' 0 C--N 1.383 2.027 0 N-CA-C 108.747 -0.834 . . . . 99.99 108.747 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -73.25 120.63 19.13 Favored 'General case' 0 C--N 1.382 1.98 0 N-CA-C 106.1 -1.815 . . . . 99.99 106.1 -169.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.44 70.24 Favored 'General case' 0 C--N 1.377 1.781 0 CA-C-O 122.663 1.22 . . . . 99.99 112.545 -166.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -69.19 -6.55 29.58 Favored 'General case' 0 C--N 1.379 1.874 0 CA-C-N 114.096 -1.411 . . . . 99.99 113.612 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -100.28 -6.91 25.21 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-O 121.822 0.82 . . . . 99.99 111.063 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -100.77 168.22 9.81 Favored 'General case' 0 C--N 1.383 2.039 0 CA-C-O 122.512 1.149 . . . . 99.99 109.711 -177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . 0.602 ' NZ ' ' OE2' ' A' ' 511' ' ' GLU . 15.8 tptt -90.5 121.23 32.27 Favored 'General case' 0 C--N 1.39 2.339 0 CA-C-O 123.261 1.505 . . . . 99.99 108.248 -174.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' SER . . . . . . . . . . . . . 12.6 t -74.27 102.14 4.24 Favored 'General case' 0 C--N 1.38 1.905 0 CA-C-N 112.516 -2.129 . . . . 99.99 109.075 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 41.3 mt -77.04 -36.59 55.99 Favored 'General case' 0 C--N 1.385 2.11 0 CA-C-O 122.531 1.158 . . . . 99.99 109.709 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 179.72 169.97 40.76 Favored Glycine 0 C--N 1.381 3.04 0 CA-C-N 113.4 -1.727 . . . . 99.99 109.327 -177.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -146.15 155.15 42.53 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-N 112.447 -1.877 . . . . 99.99 107.829 171.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -155.59 167.75 29.37 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 112.353 -2.203 . . . . 99.99 107.094 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -111.58 155.18 23.73 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-O 123.687 1.708 . . . . 99.99 109.208 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . . . . . . . . . 56.3 tp -130.23 111.57 12.54 Favored 'General case' 0 C--N 1.38 1.933 0 N-CA-C 103.626 -2.731 . . . . 99.99 103.626 160.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' ASP . . . . . 0.665 ' OD1' ' NZ ' ' A' ' 495' ' ' LYS . 9.5 p-10 -101.92 163.97 11.97 Favored 'General case' 0 C--N 1.382 1.991 0 CA-C-N 113.317 -1.765 . . . . 99.99 109.633 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 93.28 30.02 9.67 Favored Glycine 0 C--N 1.376 2.797 0 CA-C-N 112.906 -1.952 . . . . 99.99 113.399 161.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 73.4 mt -75.89 134.7 28.55 Favored 'Isoleucine or valine' 0 C--N 1.379 1.887 0 N-CA-C 105.097 -2.186 . . . . 99.99 105.097 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -68.68 159.09 83.56 Favored Pre-proline 0 C--N 1.387 2.224 0 CA-C-N 112.568 -2.106 . . . . 99.99 109.438 -173.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.23 73.15 2.12 Favored 'Trans proline' 0 C--N 1.385 2.494 0 CA-C-O 123.626 1.428 . . . . 99.99 111.354 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -99.17 161.02 26.12 Favored Pre-proline 0 C--N 1.38 1.906 0 CA-C-N 113.005 -1.907 . . . . 99.99 109.338 172.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -76.55 157.33 36.31 Favored 'Trans proline' 0 C--N 1.386 2.509 0 C-N-CA 121.052 1.168 . . . . 99.99 110.651 168.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -70.46 156.95 38.68 Favored 'General case' 0 C--N 1.382 2.012 0 CA-C-O 124.365 2.031 . . . . 99.99 114.084 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 95.96 -25.34 25.79 Favored Glycine 0 C--N 1.393 3.717 0 CA-C-N 111.795 -2.457 . . . . 99.99 110.636 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' MET . . . . . . . . . . . . . 90.8 mmm -92.64 -43.39 0.34 Allowed Pre-proline 0 C--N 1.385 2.135 0 N-CA-C 115.741 1.756 . . . . 99.99 115.741 -167.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.78 123.97 13.25 Favored 'Trans proline' 0 C--N 1.381 2.27 0 CA-C-N 122.119 1.792 . . . . 99.99 108.882 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -90.16 94.83 9.93 Favored 'General case' 0 C--N 1.38 1.908 0 CA-C-N 113.113 -1.858 . . . . 99.99 107.821 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ILE . . . . . . . . . . . . . 34.4 mm -100.85 112.31 33.28 Favored 'Isoleucine or valine' 0 C--N 1.387 2.21 0 CA-C-N 112.466 -2.152 . . . . 99.99 105.424 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.604 ' OE2' ' NZ ' ' A' ' 491' ' ' LYS . 23.9 tt0 -87.56 136.42 32.95 Favored 'General case' 0 C--N 1.383 2.032 0 N-CA-C 103.925 -2.62 . . . . 99.99 103.925 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' VAL . . . . . . . . . . . . . 94.0 t -120.74 127.72 75.96 Favored 'Isoleucine or valine' 0 C--N 1.381 1.942 0 N-CA-C 103.886 -2.635 . . . . 99.99 103.886 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 8.9 m -124.26 135.06 53.12 Favored 'General case' 0 C--N 1.384 2.079 0 CA-C-N 112.67 -2.059 . . . . 99.99 106.391 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -117.21 128.3 54.96 Favored 'General case' 0 C--N 1.387 2.22 0 N-CA-C 104.047 -2.575 . . . . 99.99 104.047 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -130.9 123.55 29.19 Favored 'General case' 0 C--N 1.375 1.681 0 N-CA-C 104.539 -2.393 . . . . 99.99 104.539 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 6.8 mt -113.83 124.54 70.58 Favored 'Isoleucine or valine' 0 C--N 1.383 2.062 0 N-CA-C 103.471 -2.788 . . . . 99.99 103.471 172.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -86.34 -176.82 6.04 Favored 'General case' 0 C--N 1.387 2.202 0 CA-C-N 113.024 -1.898 . . . . 99.99 108.713 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.494 ' HB1' ' HA ' ' A' ' 388' ' ' ASP . . . -87.06 -2.26 58.5 Favored 'General case' 0 C--N 1.378 1.808 0 N-CA-C 114.0 1.111 . . . . 99.99 114.0 -170.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . 0.479 ' OD1' ' HA ' ' A' ' 386' ' ' VAL . 55.9 m-20 -98.88 0.93 45.17 Favored 'General case' 0 C--N 1.384 2.083 0 CA-C-O 123.107 1.432 . . . . 99.99 107.771 174.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' GLY . . . . . . . . . . . . . . . 89.91 7.43 68.38 Favored Glycine 0 C--N 1.383 3.187 0 C-N-CA 125.026 1.298 . . . . 99.99 112.349 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' ILE . . . . . . . . . . . . . 66.1 mt -80.78 135.34 25.38 Favored 'Isoleucine or valine' 0 C--N 1.38 1.928 0 N-CA-C 104.658 -2.349 . . . . 99.99 104.658 -173.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 40.7 tp -98.99 126.92 44.79 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 105.033 -2.21 . . . . 99.99 105.033 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -122.01 122.79 40.13 Favored 'General case' 0 C--N 1.38 1.913 0 N-CA-C 103.859 -2.645 . . . . 99.99 103.859 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.5 136.89 50.84 Favored 'Isoleucine or valine' 0 C--N 1.381 1.958 0 N-CA-C 103.226 -2.879 . . . . 99.99 103.226 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' SER . . . . . . . . . . . . . 3.4 p -136.79 140.52 42.58 Favored 'General case' 0 C--N 1.379 1.849 0 CA-C-N 112.862 -1.972 . . . . 99.99 106.154 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -130.56 142.47 50.46 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 112.843 -1.98 . . . . 99.99 105.872 174.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' LYS . . . . . 0.599 ' NZ ' ' OE1' ' A' ' 496' ' ' GLU . 9.0 ttmt -147.27 140.66 25.41 Favored 'General case' 0 C--N 1.38 1.899 0 CA-C-N 113.178 -1.828 . . . . 99.99 110.024 -173.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.1 127.34 35.13 Favored 'General case' 0 C--N 1.38 1.934 0 N-CA-C 106.073 -1.825 . . . . 99.99 106.073 167.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . 0.604 ' NZ ' ' OE2' ' A' ' 473' ' ' GLU . 74.7 mttt -79.42 -14.99 58.57 Favored 'General case' 0 C--N 1.386 2.179 0 N-CA-C 113.651 0.982 . . . . 99.99 113.651 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -51.41 11.11 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-O 121.15 0.5 . . . . 99.99 110.095 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' SER . . . . . . . . . . . . . 94.3 p -93.27 -28.19 16.38 Favored 'General case' 0 C--N 1.382 1.979 0 N-CA-C 113.312 0.856 . . . . 99.99 113.312 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . 90.68 2.32 72.71 Favored Glycine 0 C--N 1.38 2.979 0 CA-C-N 115.797 -0.638 . . . . 99.99 114.63 -173.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.665 ' NZ ' ' OD1' ' A' ' 460' ' ' ASP . 41.8 tttm -73.04 117.16 14.43 Favored 'General case' 0 C--N 1.379 1.865 0 CA-C-O 123.655 1.693 . . . . 99.99 109.091 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . 0.599 ' OE1' ' NZ ' ' A' ' 489' ' ' LYS . 20.3 tt0 -95.56 152.27 18.58 Favored 'General case' 0 C--N 1.391 2.384 0 CA-C-N 112.658 -2.065 . . . . 99.99 108.114 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -145.05 156.42 43.91 Favored 'General case' 0 C--N 1.387 2.2 0 CA-C-O 123.625 1.679 . . . . 99.99 108.112 158.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -134.79 164.63 27.12 Favored 'General case' 0 C--N 1.386 2.159 0 CA-C-N 113.552 -1.658 . . . . 99.99 110.984 -168.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' ILE . . . . . . . . . . . . . 15.4 tt -150.38 145.02 17.22 Favored 'Isoleucine or valine' 0 C--N 1.391 2.409 0 CA-C-N 111.97 -2.377 . . . . 99.99 108.135 155.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . . . . . . . . . 4.9 m -120.04 130.23 54.61 Favored 'General case' 0 C--N 1.385 2.148 0 N-CA-C 105.379 -2.082 . . . . 99.99 105.379 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ILE . . . . . . . . . . . . . 70.5 mt -129.74 140.53 48.79 Favored 'Isoleucine or valine' 0 C--N 1.379 1.878 0 N-CA-C 105.984 -1.858 . . . . 99.99 105.984 -169.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -83.24 157.32 22.72 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-O 123.132 1.444 . . . . 99.99 109.378 -166.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ALA . . . . . . . . . . . . . . . -63.03 -24.67 68.03 Favored 'General case' 0 C--N 1.385 2.15 0 CA-C-O 122.987 1.375 . . . . 99.99 111.751 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' SER . . . . . . . . . . . . . 22.5 p -95.46 14.33 23.0 Favored 'General case' 0 C--N 1.382 1.994 0 CA-C-N 113.387 -1.733 . . . . 99.99 113.813 176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 54.3 m -92.05 151.49 20.43 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-O 123.135 1.445 . . . . 99.99 107.558 170.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' GLY . . . . . . . . . . . . . . . 96.83 -152.19 20.05 Favored Glycine 0 C--N 1.384 3.196 0 CA-C-N 113.539 -1.664 . . . . 99.99 113.085 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 511' ' ' GLU . 83.8 mt -78.93 133.61 36.9 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 112.221 -1.99 . . . . 99.99 111.432 -171.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -81.89 174.61 11.14 Favored 'General case' 0 C--N 1.386 2.166 0 CA-C-O 122.928 1.347 . . . . 99.99 112.397 170.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.8 -45.38 14.76 Favored 'General case' 0 C--N 1.388 2.273 0 N-CA-C 114.358 1.244 . . . . 99.99 114.358 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.72 -31.08 36.2 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 122.723 1.249 . . . . 99.99 108.891 -172.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . 0.602 ' OE2' ' NZ ' ' A' ' 452' ' ' LYS . 46.1 mt-10 -68.85 -37.97 79.47 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 114.537 -1.21 . . . . 99.99 108.108 176.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.8 -46.4 94.51 Favored 'Isoleucine or valine' 0 C--N 1.385 2.131 0 CA-C-N 114.735 -1.12 . . . . 99.99 109.462 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -59.37 -47.0 87.1 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 119.632 -0.827 . . . . 99.99 110.018 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' LYS . . . . . 0.665 ' NZ ' ' OD2' ' A' ' 518' ' ' ASP . 61.6 tttm -54.71 -51.93 64.02 Favored 'General case' 0 C--N 1.394 2.539 0 N-CA-C 107.647 -1.242 . . . . 99.99 107.647 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 35.0 tpp -53.84 -38.57 64.78 Favored 'General case' 0 C--N 1.378 1.828 0 O-C-N 123.735 0.647 . . . . 99.99 111.535 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' VAL . . . . . . . . . . . . . 50.9 t -64.13 -47.19 91.19 Favored 'Isoleucine or valine' 0 C--N 1.379 1.857 0 CA-C-O 121.986 0.898 . . . . 99.99 108.887 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -63.56 -43.62 96.49 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-O 123.609 1.671 . . . . 99.99 107.19 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . 0.665 ' OD2' ' NZ ' ' A' ' 514' ' ' LYS . 0.5 OUTLIER -59.44 -53.0 63.16 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 113.465 -1.698 . . . . 99.99 109.173 -175.165 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -72.18 -30.67 65.2 Favored 'General case' 0 C--N 1.387 2.2 0 CA-C-N 113.89 -1.504 . . . . 99.99 113.507 -175.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -75.57 -35.32 60.64 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 120.239 -0.584 . . . . 99.99 110.313 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -78.44 -38.88 40.23 Favored 'General case' 0 C--N 1.384 2.095 0 CA-C-O 121.614 0.721 . . . . 99.99 112.623 -177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -91.1 13.7 16.17 Favored 'General case' 0 C--N 1.384 2.096 0 CA-C-O 121.977 0.894 . . . . 99.99 112.965 -173.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.64 -40.51 69.06 Favored 'General case' 0 C--N 1.378 1.805 0 CA-C-O 121.889 0.852 . . . . 99.99 111.274 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.44 -39.29 85.4 Favored 'General case' 0 C--N 1.382 1.993 0 CA-C-O 122.132 0.968 . . . . 99.99 110.502 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -75.82 -39.24 57.14 Favored 'General case' 0 C--N 1.384 2.073 0 CA-C-O 122.768 1.271 . . . . 99.99 108.953 -173.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.48 -43.09 73.91 Favored 'General case' 0 C--N 1.381 1.95 0 CA-C-N 114.079 -1.419 . . . . 99.99 108.508 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 5.9 ttp-105 -59.51 -39.66 84.58 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 118.019 -1.472 . . . . 99.99 110.381 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -63.61 -21.76 66.54 Favored 'General case' 0 C--N 1.389 2.311 0 CA-C-O 121.983 0.897 . . . . 99.99 112.424 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -85.5 -52.27 5.95 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 113.953 -1.476 . . . . 99.99 108.005 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -53.11 -38.36 62.55 Favored 'General case' 0 C--N 1.381 1.944 0 CA-C-O 122.609 1.195 . . . . 99.99 110.207 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.627 ' OE1' ' NZ ' ' A' ' 581' ' ' LYS . 3.5 pt-20 -73.67 -5.56 41.28 Favored 'General case' 0 C--N 1.388 2.271 0 N-CA-C 115.777 1.769 . . . . 99.99 115.777 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 33.9 tp -95.23 -41.61 8.97 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 124.899 1.28 . . . . 99.99 108.311 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 35.3 t -58.06 -42.35 82.71 Favored 'Isoleucine or valine' 0 C--N 1.382 1.979 0 CA-C-O 122.07 0.938 . . . . 99.99 108.601 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -59.8 -45.52 92.09 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-N 114.286 -1.325 . . . . 99.99 108.831 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' THR . . . . . . . . . . . . . 84.7 m -70.27 -43.57 70.2 Favored 'General case' 0 C--N 1.375 1.711 0 CA-C-N 115.766 -0.652 . . . . 99.99 109.57 -175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -55.05 -42.4 72.64 Favored 'General case' 0 C--N 1.384 2.093 0 CA-C-O 122.247 1.022 . . . . 99.99 111.012 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -72.07 -33.57 68.04 Favored 'General case' 0 C--N 1.385 2.128 0 CA-C-N 115.34 -0.845 . . . . 99.99 112.098 -175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -64.87 -41.17 95.87 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-O 122.891 1.329 . . . . 99.99 109.171 175.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' GLY . . . . . . . . . . . . . . . -67.56 -38.01 90.11 Favored Glycine 0 C--N 1.386 3.34 0 CA-C-N 113.924 -1.489 . . . . 99.99 111.204 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -61.75 -46.74 88.28 Favored 'General case' 0 C--N 1.383 2.029 0 CA-C-O 121.85 0.833 . . . . 99.99 109.516 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -58.04 -49.0 78.4 Favored 'General case' 0 C--N 1.387 2.197 0 N-CA-C 108.441 -0.948 . . . . 99.99 108.441 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.45 -48.61 77.01 Favored 'General case' 0 C--N 1.383 2.051 0 CA-C-N 115.043 -0.98 . . . . 99.99 109.093 -175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . . . . . . . . . 41.5 tp -54.26 -47.75 71.93 Favored 'General case' 0 C--N 1.38 1.919 0 CA-C-O 121.99 0.9 . . . . 99.99 110.439 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -70.04 -48.84 56.27 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-N 115.067 -0.97 . . . . 99.99 109.928 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 60.7 m -67.75 -41.5 83.27 Favored 'General case' 0 C--N 1.378 1.818 0 O-C-N 121.46 -0.775 . . . . 99.99 111.033 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' THR . . . . . . . . . . . . . 84.9 m -68.96 -27.38 65.68 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 119.025 -1.07 . . . . 99.99 110.731 -176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -60.63 -45.1 95.32 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 121.951 0.881 . . . . 99.99 109.329 173.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' LYS . . . . . 0.539 ' NZ ' ' OD2' ' A' ' 431' ' ' ASP . 93.7 mttt -76.68 -33.38 58.26 Favored 'General case' 0 C--N 1.384 2.1 0 C-N-CA 118.988 -1.085 . . . . 99.99 112.014 -177.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -61.94 -26.23 68.06 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 120.027 -0.669 . . . . 99.99 110.259 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.01 -53.61 22.87 Favored 'Isoleucine or valine' 0 C--N 1.39 2.326 0 N-CA-C 108.633 -0.877 . . . . 99.99 108.633 167.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -61.95 -29.29 70.13 Favored 'General case' 0 C--N 1.38 1.916 0 N-CA-C 114.171 1.175 . . . . 99.99 114.171 -174.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -72.41 -32.86 66.7 Favored 'General case' 0 C--N 1.379 1.888 0 CA-C-O 123.436 1.589 . . . . 99.99 112.135 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -74.91 -58.19 3.44 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 114.965 -1.016 . . . . 99.99 110.099 -174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . 64.9 -132.8 37.12 Favored Glycine 0 C--N 1.378 2.869 0 CA-C-O 123.206 1.448 . . . . 99.99 111.92 -177.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 555' ' ' ASP . 0.5 OUTLIER -66.43 -0.61 2.81 Favored 'General case' 0 C--N 1.382 2.01 0 C-N-CA 126.197 1.799 . . . . 99.99 115.356 -174.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -78.37 -25.45 46.28 Favored 'General case' 0 C--N 1.377 1.788 0 CA-C-N 114.975 -1.011 . . . . 99.99 109.886 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 26.3 tp -97.33 118.17 64.78 Favored Pre-proline 0 C--N 1.386 2.182 0 CA-C-N 113.951 -1.477 . . . . 99.99 107.617 -171.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.56 166.74 11.04 Favored 'Trans proline' 0 C--N 1.385 2.448 0 CA-C-O 124.791 1.913 . . . . 99.99 114.931 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' ALA . . . . . . . . . . . . . . . -68.07 -41.02 82.57 Favored 'General case' 0 C--N 1.393 2.463 0 CA-C-N 112.398 -2.183 . . . . 99.99 111.172 -169.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 560' ' ' ASP . 1.6 m-20 -63.01 -45.63 91.45 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 108.457 -0.942 . . . . 99.99 108.457 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.25 -50.51 72.74 Favored 'General case' 0 C--N 1.382 1.995 0 N-CA-C 107.832 -1.173 . . . . 99.99 107.832 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.47 -45.61 80.82 Favored 'General case' 0 C--N 1.386 2.189 0 N-CA-C 107.989 -1.115 . . . . 99.99 107.989 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' THR . . . . . . . . . . . . . 84.9 m -63.34 -47.09 83.61 Favored 'General case' 0 C--N 1.377 1.797 0 CA-C-O 122.502 1.144 . . . . 99.99 110.889 -176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -70.15 -44.38 68.98 Favored 'General case' 0 C--N 1.381 1.974 0 CA-C-O 121.974 0.892 . . . . 99.99 111.409 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.66 -46.45 85.89 Favored 'Isoleucine or valine' 0 C--N 1.382 2.013 0 N-CA-C 107.983 -1.117 . . . . 99.99 107.983 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -64.69 -27.75 69.13 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-N 115.589 -0.732 . . . . 99.99 110.547 -175.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 74.8 m -67.42 -45.1 77.07 Favored 'General case' 0 C--N 1.382 2.0 0 CA-C-O 123.177 1.465 . . . . 99.99 108.549 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.34 69.14 Favored 'General case' 0 C--N 1.383 2.052 0 CA-C-N 114.644 -1.162 . . . . 99.99 110.42 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' LEU . . . . . . . . . . . . . 17.8 mt -57.13 -43.29 82.26 Favored 'General case' 0 C--N 1.386 2.175 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.667 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' THR . . . . . . . . . . . . . 56.5 m -61.94 -46.22 90.27 Favored 'General case' 0 C--N 1.388 2.241 0 CA-C-O 121.968 0.889 . . . . 99.99 109.434 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -65.35 -36.48 84.13 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 114.692 -1.14 . . . . 99.99 111.866 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.3 -37.18 86.6 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 108.166 -1.05 . . . . 99.99 108.166 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' GLU . . . . . 0.585 ' OE1' ' NZ ' ' A' ' 577' ' ' LYS . 0.2 OUTLIER -70.88 -17.66 62.71 Favored 'General case' 0 C--N 1.382 2.004 0 CA-C-N 115.279 -0.873 . . . . 99.99 112.398 -179.439 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' THR . . . . . . . . . . . . . 59.5 m -85.12 -50.06 7.73 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-O 122.247 1.022 . . . . 99.99 108.665 170.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -58.36 -35.88 72.62 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-O 122.143 0.973 . . . . 99.99 111.386 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' LEU . . . . . . . . . . . . . 36.0 mt -70.92 0.06 8.16 Favored 'General case' 0 C--N 1.384 2.107 0 N-CA-C 115.253 1.575 . . . . 99.99 115.253 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' LYS . . . . . 0.585 ' NZ ' ' OE1' ' A' ' 573' ' ' GLU . 19.2 mttm -101.08 6.8 43.46 Favored 'General case' 0 C--N 1.382 2.017 0 CA-C-O 121.744 0.783 . . . . 99.99 109.922 168.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' GLY . . . . . . . . . . . . . . . -98.85 166.21 21.34 Favored Glycine 0 C--N 1.38 3.02 0 CA-C-O 123.96 1.867 . . . . 99.99 109.132 175.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -99.01 7.41 46.02 Favored 'General case' 0 C--N 1.384 2.105 0 CA-C-O 122.531 1.158 . . . . 99.99 108.316 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -86.23 115.32 23.71 Favored 'General case' 0 C--N 1.379 1.871 0 CA-C-N 114.557 -1.201 . . . . 99.99 107.759 -172.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.627 ' NZ ' ' OE1' ' A' ' 531' ' ' GLU . 60.8 tttt -68.46 -41.53 80.06 Favored 'General case' 0 C--N 1.385 2.134 0 CA-C-N 114.202 -1.363 . . . . 99.99 110.666 177.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . -73.1 -38.0 66.52 Favored 'General case' 0 C--N 1.375 1.715 0 N-CA-C 107.338 -1.356 . . . . 99.99 107.338 -163.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -62.11 -38.44 88.88 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 114.385 -1.28 . . . . 99.99 110.028 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' ILE . . . . . . . . . . . . . 74.2 mt -70.38 -48.06 62.52 Favored 'Isoleucine or valine' 0 C--N 1.381 1.978 0 N-CA-C 108.067 -1.086 . . . . 99.99 108.067 -177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.36 -42.25 86.53 Favored 'General case' 0 C--N 1.384 2.1 0 CA-C-O 122.035 0.921 . . . . 99.99 109.872 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' ALA . . . . . . . . . . . . . . . -65.43 -47.25 76.87 Favored 'General case' 0 C--N 1.386 2.167 0 CA-C-N 115.595 -0.73 . . . . 99.99 111.635 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' LYS . . . . . 0.611 ' NZ ' ' OE1' ' A' ' 590' ' ' GLU . 71.0 mmtt -68.16 -27.6 66.56 Favored 'General case' 0 C--N 1.386 2.156 0 O-C-N 120.948 -1.095 . . . . 99.99 113.032 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 83.8 mtp -64.28 -40.15 95.37 Favored 'General case' 0 C--N 1.38 1.916 0 CA-C-O 121.757 0.789 . . . . 99.99 109.452 172.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -68.5 -47.29 67.39 Favored 'General case' 0 C--N 1.385 2.111 0 N-CA-C 108.907 -0.775 . . . . 99.99 108.907 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.611 ' OE1' ' NZ ' ' A' ' 587' ' ' LYS . 32.7 tt0 -56.43 -35.56 67.99 Favored 'General case' 0 C--N 1.388 2.241 0 CA-C-O 121.352 0.596 . . . . 99.99 109.88 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' LEU . . . . . . . . . . . . . 56.9 tp -73.71 -55.96 5.6 Favored 'General case' 0 C--N 1.387 2.212 0 CA-C-N 116.105 -0.498 . . . . 99.99 111.337 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -58.39 -35.31 71.81 Favored 'General case' 0 C--N 1.378 1.821 0 O-C-N 121.329 -0.857 . . . . 99.99 112.436 -172.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.35 -32.13 68.24 Favored 'General case' 0 C--N 1.387 2.224 0 CA-C-N 115.418 -0.81 . . . . 99.99 111.685 -177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' VAL . . . . . . . . . . . . . 33.2 m -96.11 6.46 7.94 Favored 'Isoleucine or valine' 0 C--N 1.383 2.044 0 N-CA-C 112.626 0.602 . . . . 99.99 112.626 -175.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' SER . . . . . . . . . . . . . 37.9 m -111.84 26.66 10.4 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-O 121.933 0.873 . . . . 99.99 112.162 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -64.5 -48.49 74.99 Favored 'General case' 0 C--N 1.387 2.21 0 CA-C-N 114.672 -1.149 . . . . 99.99 108.437 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.631 ' NZ ' ' OE1' ' A' ' 600' ' ' GLU . 51.6 tptt -76.38 -29.36 57.12 Favored 'General case' 0 C--N 1.385 2.12 0 CA-C-O 121.908 0.861 . . . . 99.99 110.259 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -46.4 75.01 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 106.294 -1.743 . . . . 99.99 106.294 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' MET . . . . . . . . . . . . . 12.5 mmt -62.28 -34.82 77.31 Favored 'General case' 0 C--N 1.383 2.045 0 CA-C-N 115.52 -0.764 . . . . 99.99 110.819 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.631 ' OE1' ' NZ ' ' A' ' 597' ' ' LYS . 15.4 tt0 -59.63 -34.06 72.32 Favored 'General case' 0 C--N 1.378 1.84 0 CA-C-O 121.572 0.701 . . . . 99.99 110.249 177.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . . . . . . . . . 67.4 mt -79.66 -43.26 23.12 Favored 'Isoleucine or valine' 0 C--N 1.385 2.147 0 N-CA-C 108.157 -1.053 . . . . 99.99 108.157 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.87 69.85 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 121.938 0.875 . . . . 99.99 112.115 177.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.381 1.962 0 N-CA-C 105.953 -1.869 . . . . 99.99 105.953 169.367 . . . . . . . . 1 1 . 1 stop_ save_